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Diffstat (limited to 'java/docs/feature')
160 files changed, 0 insertions, 9529 deletions
diff --git a/java/docs/feature/APropertyBFS.html b/java/docs/feature/APropertyBFS.html deleted file mode 100644 index dd46d0b..0000000 --- a/java/docs/feature/APropertyBFS.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.APROPERTYBFS" -></A ->Atom property breadth first search</H2 -><P ->Breadth first search calculating the distance only between boolean atom properties (default: Atom in conjugated environment).</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/APropertyDistanceMatrix.html b/java/docs/feature/APropertyDistanceMatrix.html deleted file mode 100644 index 056c875..0000000 --- a/java/docs/feature/APropertyDistanceMatrix.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.APROPERTYDISTANCEMATRIX" -></A ->Atom property distance matrix</H2 -><P ->Distance matrix calculating the distance only between boolean atom properties (default: Atom in conjugated environment).</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AcidicGroups.html b/java/docs/feature/AcidicGroups.html deleted file mode 100644 index 1bb2d9e..0000000 --- a/java/docs/feature/AcidicGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ACIDICGROUPS" -></A ->Number of acidic groups</H2 -><P ->Number of acidic groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AliphaticOHGroups.html b/java/docs/feature/AliphaticOHGroups.html deleted file mode 100644 index f0d8a24..0000000 --- a/java/docs/feature/AliphaticOHGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ALIPHATICOHGROUPS" -></A ->Number of aliphatic hydroxy groups</H2 -><P ->Number of aliphatic hydroxy groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AromaticBonds.html b/java/docs/feature/AromaticBonds.html deleted file mode 100644 index faa7fa2..0000000 --- a/java/docs/feature/AromaticBonds.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.AROMATICBONDS" -></A ->Number of aromatic bonds</H2 -><P ->Number of aromatic bonds.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AromaticOHGroups.html b/java/docs/feature/AromaticOHGroups.html deleted file mode 100644 index 781c23b..0000000 --- a/java/docs/feature/AromaticOHGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HBD1" -></A ->Number of Hydrogen Bond Donors (HBD)</H2 -><P ->Number of Hydrogen Bond Donors (HBD). The default SMARTS pattern is: [!#6;!H0].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
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\ No newline at end of file diff --git a/java/docs/feature/AtomInAcceptor.html b/java/docs/feature/AtomInAcceptor.html deleted file mode 100644 index 5785a4f..0000000 --- a/java/docs/feature/AtomInAcceptor.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINACCEPTOR" -></A ->Atom in acceptor</H2 -><P ->Is this atom a hydrogen acceptor atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomInAromaticSystem.html b/java/docs/feature/AtomInAromaticSystem.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomInAromaticSystem.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomInConjEnvironment.html b/java/docs/feature/AtomInConjEnvironment.html deleted file mode 100644 index 2a3289e..0000000 --- a/java/docs/feature/AtomInConjEnvironment.html +++ /dev/null @@ -1,184 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINCONJENVIRONMENT" -></A ->Atom in conjugated environment</H2 -><P ->Atom in conjugated environment. -<DIV -CLASS="TABLE" -><A -NAME="AEN7" -></A -><P -><B ->Table 1. SMARTS definitions for assigning the conjugated atom property flag</B -></P -><TABLE -BORDER="1" -CLASS="CALSTABLE" -><THEAD -><TR -><TH -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->SMARTS</TH -><TH -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Description</TH -></TR -></THEAD -><TBODY -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->a</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->*=,#*-,=*=,#*</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->All butadien analogues</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->[N,P,O,S]=,#*-[*;!H0]</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->alpha, beta unsaturated (pi effect)</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->*=,#*-[F,Cl,Br,I]</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->alpha, beta unsaturated (sigma effect)</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->*=,#*-[N,P,O,S;!H0]</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->alpha, beta unsaturated (pi effect, tautomer)</TD -></TR -></TBODY -></TABLE -></DIV -></P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomInDonAcc.html b/java/docs/feature/AtomInDonAcc.html deleted file mode 100644 index 61b8188..0000000 --- a/java/docs/feature/AtomInDonAcc.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINDONACC" -></A ->Atom in donor or acceptor</H2 -><P ->Is this atom a hydrogen donor or acceptor atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomInDonor.html b/java/docs/feature/AtomInDonor.html deleted file mode 100644 index 399b2f9..0000000 --- a/java/docs/feature/AtomInDonor.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINDONOR" -></A ->Atom in donor</H2 -><P ->Is this atom a hydrogen donor atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomInRing.html b/java/docs/feature/AtomInRing.html deleted file mode 100644 index 79b7741..0000000 --- a/java/docs/feature/AtomInRing.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINRING" -></A ->Atom in ring</H2 -><P ->Is this atom a ring atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomInRingsCount.html b/java/docs/feature/AtomInRingsCount.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomInRingsCount.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomInTerminalCarbon.html b/java/docs/feature/AtomInTerminalCarbon.html deleted file mode 100644 index 23c8b41..0000000 --- a/java/docs/feature/AtomInTerminalCarbon.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMINTERMINALCARBON" -></A ->Atom is terminal carbon</H2 -><P ->Is this atom a terminal carbon atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomIsAlphaBetaUnsaturated.html b/java/docs/feature/AtomIsAlphaBetaUnsaturated.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsAlphaBetaUnsaturated.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsAmideNitrogen.html b/java/docs/feature/AtomIsAmideNitrogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsAmideNitrogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsAntiClockwise.html b/java/docs/feature/AtomIsAntiClockwise.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsAntiClockwise.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsAromaticNOxide.html b/java/docs/feature/AtomIsAromaticNOxide.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsAromaticNOxide.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsAxial.html b/java/docs/feature/AtomIsAxial.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsAxial.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsCarbon.html b/java/docs/feature/AtomIsCarbon.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsCarbon.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsCarboxylOxygen.html b/java/docs/feature/AtomIsCarboxylOxygen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsCarboxylOxygen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsChiral.html b/java/docs/feature/AtomIsChiral.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsChiral.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsClockwise.html b/java/docs/feature/AtomIsClockwise.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsClockwise.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsElectronegative.html b/java/docs/feature/AtomIsElectronegative.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsElectronegative.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsHalogen.html b/java/docs/feature/AtomIsHalogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsHalogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsHeteroatom.html b/java/docs/feature/AtomIsHeteroatom.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsHeteroatom.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsHydrogen.html b/java/docs/feature/AtomIsHydrogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsHydrogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsNegative.html b/java/docs/feature/AtomIsNegative.html deleted file mode 100644 index 2754ce0..0000000 --- a/java/docs/feature/AtomIsNegative.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMISNEGATIVE" -></A ->Atom is negative</H2 -><P ->Is this atom a negative charged atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomIsNitroOxygen.html b/java/docs/feature/AtomIsNitroOxygen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsNitroOxygen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsNitrogen.html b/java/docs/feature/AtomIsNitrogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsNitrogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsNonPolarHydrogen.html b/java/docs/feature/AtomIsNonPolarHydrogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsNonPolarHydrogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsOxygen.html b/java/docs/feature/AtomIsOxygen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsOxygen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsPhosphateOxygen.html b/java/docs/feature/AtomIsPhosphateOxygen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsPhosphateOxygen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsPhosphorus.html b/java/docs/feature/AtomIsPhosphorus.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsPhosphorus.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsPolarHydrogen.html b/java/docs/feature/AtomIsPolarHydrogen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsPolarHydrogen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsPositive.html b/java/docs/feature/AtomIsPositive.html deleted file mode 100644 index 4f4204d..0000000 --- a/java/docs/feature/AtomIsPositive.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMISPOSITIVE" -></A ->Atom is positive</H2 -><P ->Is this atom a positive charged atom.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomIsSulfateOxygen.html b/java/docs/feature/AtomIsSulfateOxygen.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsSulfateOxygen.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsSulfur.html b/java/docs/feature/AtomIsSulfur.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsSulfur.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomIsUnsaturated.html b/java/docs/feature/AtomIsUnsaturated.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomIsUnsaturated.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomKekuleBondOrderSum.html b/java/docs/feature/AtomKekuleBondOrderSum.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomKekuleBondOrderSum.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomMass.html b/java/docs/feature/AtomMass.html deleted file mode 100644 index f1a2cde..0000000 --- a/java/docs/feature/AtomMass.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMMASS" -></A ->Atom masss</H2 -><P ->Atom mass.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomPartialCharge.html b/java/docs/feature/AtomPartialCharge.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomPartialCharge.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomType.html b/java/docs/feature/AtomType.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomType.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomValence.html b/java/docs/feature/AtomValence.html deleted file mode 100644 index dcd6db8..0000000 --- a/java/docs/feature/AtomValence.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMVALENCE" -></A ->Valence</H2 -><P ->Valence.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/AtomValenceSum.html b/java/docs/feature/AtomValenceSum.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/AtomValenceSum.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/AtomVanDerWaalsVolume.html b/java/docs/feature/AtomVanDerWaalsVolume.html deleted file mode 100644 index bf76e72..0000000 --- a/java/docs/feature/AtomVanDerWaalsVolume.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ATOMVANDERWAALSVOLUME" -></A ->Van der Waals volume</H2 -><P ->Van der Waals volume.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/Autocorrelation.html b/java/docs/feature/Autocorrelation.html deleted file mode 100644 index 53fe464..0000000 --- a/java/docs/feature/Autocorrelation.html +++ /dev/null @@ -1,168 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.AUTOCORRELATION" -></A ->Moreau-Broto topological autocorrelation</H2 -><P ->Moreau-Broto topological autocorrelation [<A -HREF="bibliography.html#BMV84" ->bmv84</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN8" -></A -><P -><B ->Equation 1. Moreau-Broto autocorrelation</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/autocorrelation.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->d<SUB ->ij</SUB -></B -></SPAN -> is the topological distance between the atoms -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> and atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->j</B -></SPAN ->, <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->w<SUB ->i</SUB -></B -></SPAN -> -and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->w<SUB ->j</SUB -></B -></SPAN -> are the atom properties of the atoms <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> and -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->j</B -></SPAN ->.</P -><P ->It must be mentioned that the autocorrelation is only a special case of the radial distribution function ().</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/BCUT.html b/java/docs/feature/BCUT.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/BCUT.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/BasicGroups.html b/java/docs/feature/BasicGroups.html deleted file mode 100644 index 581d187..0000000 --- a/java/docs/feature/BasicGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.BASICGROUPS" -></A ->Number of basic groups</H2 -><P ->Number of basic groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
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\ No newline at end of file diff --git a/java/docs/feature/BurdenModifiedEigenvalues.html b/java/docs/feature/BurdenModifiedEigenvalues.html deleted file mode 100644 index dc6a83b..0000000 --- a/java/docs/feature/BurdenModifiedEigenvalues.html +++ /dev/null @@ -1,96 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.BURDENMODIFIEDEIGENVALUES" -></A ->Burden modified eigenvalues</H2 -><P ->Burden modified eigenvalues [<A -HREF="bibliography.html#TC00" ->tc00</A ->].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
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\ No newline at end of file diff --git a/java/docs/feature/ConjElectroTopolState.html b/java/docs/feature/ConjElectroTopolState.html deleted file mode 100644 index bc0369e..0000000 --- a/java/docs/feature/ConjElectroTopolState.html +++ /dev/null @@ -1,173 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.CONJELECTROTOPOLSTATE" -></A ->Conjugated electrotopological state</H2 -><P ->Conjugated electrotopological state [<A -HREF="bibliography.html#WZ03" ->wz03</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN9" -></A -><P -><B ->Equation 1. Conjugated electrotopological state</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/cets.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->I<SUB ->i</SUB -></B -></SPAN -> is the intrinsic state of atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> () -and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->k</B -></SPAN -> the distance influence. The distance influence is reduced by the conjugated topological distance -<DIV -CLASS="EQUATION" -><A -NAME="AEN19" -></A -><P -><B ->Equation 2. Conjugated topological distance</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/ctd.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->C<SUB ->i</SUB -></B -></SPAN -> is the conjugated atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> () -of the molecule.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/ConjugatedTopologicalDistance.html b/java/docs/feature/ConjugatedTopologicalDistance.html deleted file mode 100644 index 6deea0d..0000000 --- a/java/docs/feature/ConjugatedTopologicalDistance.html +++ /dev/null @@ -1,117 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.CONJUGATEDTOPOLOGICALDISTANCE" -></A ->Conjugated topological distance</H2 -><P ->Conjugated topological distance [<A -HREF="bibliography.html#WZ03" ->wz03</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN9" -></A -><P -><B ->Equation 1. Conjugated topological distance</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/ctd.gif" -ALIGN="CENTER"></P -></DIV -></DIV -></P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
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-><HEAD
-><TITLE
-></TITLE
-><META
-NAME="GENERATOR"
-CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK
-REL="NEXT"
-TITLE="Bibliography"
-HREF="bibliography.html"></HEAD
-><BODY
-CLASS="ARTICLE"
-BGCOLOR="#FFFFFF"
-TEXT="#000000"
-LINK="#0000FF"
-VLINK="#840084"
-ALINK="#0000FF"
-><DIV
-CLASS="ARTICLE"
-><DIV
-CLASS="SECT1"
-><H1
-CLASS="SECT1"
-><A
-NAME="JOELIB.DESCRIPTORS."
-></A
->Descriptor</H1
-><DIV
-CLASS="SECT2"
-><H2
-CLASS="SECT2"
-><A
-NAME="JOELIB.DESCRIPTORS.DISTANCEMATRIX"
-></A
->Topological distance matrix</H2
-><P
->Calculates the topological distances between all atom pairs.
-Here a simple BFS (see also )
-is used to calculate these distances, which causes a running time of
-<SPAN
-CLASS="bold"
-><B
-CLASS="EMPHASIS"
->O(A<SUP
->3</SUP
->)</B
-></SPAN
->, where
-<SPAN
-CLASS="bold"
-><B
-CLASS="EMPHASIS"
->A</B
-></SPAN
-> is the number of atoms.</P
-></DIV
-></DIV
-></DIV
-><DIV
-CLASS="NAVFOOTER"
-><HR
-ALIGN="LEFT"
-WIDTH="100%"><TABLE
-SUMMARY="Footer navigation table"
-WIDTH="100%"
-BORDER="0"
-CELLPADDING="0"
-CELLSPACING="0"
-><TR
-><TD
-WIDTH="33%"
-ALIGN="left"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="34%"
-ALIGN="center"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="33%"
-ALIGN="right"
-VALIGN="top"
-><A
-HREF="bibliography.html"
-ACCESSKEY="N"
->Next</A
-></TD
-></TR
-><TR
-><TD
-WIDTH="33%"
-ALIGN="left"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="34%"
-ALIGN="center"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="33%"
-ALIGN="right"
-VALIGN="top"
->Bibliography</TD
-></TR
-></TABLE
-></DIV
-></BODY
-></HTML
->
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\ No newline at end of file diff --git a/java/docs/feature/ElectrogeometricalState.html b/java/docs/feature/ElectrogeometricalState.html deleted file mode 100644 index d25b39a..0000000 --- a/java/docs/feature/ElectrogeometricalState.html +++ /dev/null @@ -1,139 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ELECTROGEOMETRICALSTATE" -></A ->Electrogeometrical state</H2 -><P ->Electrogeometrical state [<A -HREF="bibliography.html#WZ03" ->wz03</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN9" -></A -><P -><B ->Equation 1. Electrogeometrical state</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/egs.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->I<SUB ->i</SUB -></B -></SPAN -> is the intrinsic state of atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> () -and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->k</B -></SPAN -> the distance influence.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/ElectrotopologicalState.html b/java/docs/feature/ElectrotopologicalState.html deleted file mode 100644 index 6de0bf2..0000000 --- a/java/docs/feature/ElectrotopologicalState.html +++ /dev/null @@ -1,139 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ELECTROTOPOLOGICALSTATE" -></A ->Electrotopological state</H2 -><P ->Electrotopological state [<A -HREF="bibliography.html#TC00" ->tc00</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN9" -></A -><P -><B ->Equation 1. Electrotopological state</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/ets.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->I<SUB ->i</SUB -></B -></SPAN -> is the intrinsic state of atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> () -and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->k</B -></SPAN -> the distance influence.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/FractionRotatableBonds.html b/java/docs/feature/FractionRotatableBonds.html deleted file mode 100644 index a34080c..0000000 --- a/java/docs/feature/FractionRotatableBonds.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.FRACTIONROTATABLEBONDS" -></A ->Fraction of rotatable bonds</H2 -><P ->Fraction of rotatable bonds.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GeomDistanceMatrix.html b/java/docs/feature/GeomDistanceMatrix.html deleted file mode 100644 index ff8cc05..0000000 --- a/java/docs/feature/GeomDistanceMatrix.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML
-><HEAD
-><TITLE
-></TITLE
-><META
-NAME="GENERATOR"
-CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK
-REL="NEXT"
-TITLE="Bibliography"
-HREF="bibliography.html"></HEAD
-><BODY
-CLASS="ARTICLE"
-BGCOLOR="#FFFFFF"
-TEXT="#000000"
-LINK="#0000FF"
-VLINK="#840084"
-ALINK="#0000FF"
-><DIV
-CLASS="ARTICLE"
-><DIV
-CLASS="SECT1"
-><H1
-CLASS="SECT1"
-><A
-NAME="JOELIB.DESCRIPTORS."
-></A
->Descriptor</H1
-><DIV
-CLASS="SECT2"
-><H2
-CLASS="SECT2"
-><A
-NAME="JOELIB.DESCRIPTORS.GEOMDISTANCEMATRIX"
-></A
->Geometrical distance matrix</H2
-><P
->The geometrical distance matrix calculates the euklidian distance between the 3D coordinates of all atom pairs.</P
-></DIV
-></DIV
-></DIV
-><DIV
-CLASS="NAVFOOTER"
-><HR
-ALIGN="LEFT"
-WIDTH="100%"><TABLE
-SUMMARY="Footer navigation table"
-WIDTH="100%"
-BORDER="0"
-CELLPADDING="0"
-CELLSPACING="0"
-><TR
-><TD
-WIDTH="33%"
-ALIGN="left"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="34%"
-ALIGN="center"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="33%"
-ALIGN="right"
-VALIGN="top"
-><A
-HREF="bibliography.html"
-ACCESSKEY="N"
->Next</A
-></TD
-></TR
-><TR
-><TD
-WIDTH="33%"
-ALIGN="left"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="34%"
-ALIGN="center"
-VALIGN="top"
-> </TD
-><TD
-WIDTH="33%"
-ALIGN="right"
-VALIGN="top"
->Bibliography</TD
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->
\ No newline at end of file diff --git a/java/docs/feature/GeometricalDiameter.html b/java/docs/feature/GeometricalDiameter.html deleted file mode 100644 index 242edc6..0000000 --- a/java/docs/feature/GeometricalDiameter.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GEOMETRICALDIAMETER" -></A ->Geometrical diameter</H2 -><P ->Geometrical diameter.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GeometricalRadius.html b/java/docs/feature/GeometricalRadius.html deleted file mode 100644 index 76a2596..0000000 --- a/java/docs/feature/GeometricalRadius.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GEOMETRICALRADIUS" -></A ->Geometrical radius</H2 -><P ->Geometrical radius.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GeometricalShapeCoefficient.html b/java/docs/feature/GeometricalShapeCoefficient.html deleted file mode 100644 index e1401be..0000000 --- a/java/docs/feature/GeometricalShapeCoefficient.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GEOMETRICALSHAPECOEFFICIENT" -></A ->Geometrical shape coefficient</H2 -><P ->Geometrical shape coefficient.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GlobalTopologicalChargeIndex.html b/java/docs/feature/GlobalTopologicalChargeIndex.html deleted file mode 100644 index 63e2715..0000000 --- a/java/docs/feature/GlobalTopologicalChargeIndex.html +++ /dev/null @@ -1,96 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GLOBALTOPOLOGICALCHARGEINDEX" -></A ->Global topological charge</H2 -><P ->Global topological charge [<A -HREF="bibliography.html#TC00" ->tc00</A ->].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GraphPotentials.html b/java/docs/feature/GraphPotentials.html deleted file mode 100644 index a192e96..0000000 --- a/java/docs/feature/GraphPotentials.html +++ /dev/null @@ -1,131 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GRAPHPOTENTIALS" -></A ->Graph potentials</H2 -><P ->Graph potentials [<A -HREF="bibliography.html#WY96" ->wy96</A ->] or rotational symmetry descriptor. Only the connection table -is needed to calculate the external rotational symmetry, or topological equivalent atoms. -<DIV -CLASS="EQUATION" -><A -NAME="AEN8" -></A -><P -><B ->Equation 1. Graph potentials</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/graphpotentials_1.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->v<SUB ->i</SUB -></B -></SPAN -> is the valence (vertex degree) of the atom -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN ->.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/GraphShapeCoefficient.html b/java/docs/feature/GraphShapeCoefficient.html deleted file mode 100644 index 735e913..0000000 --- a/java/docs/feature/GraphShapeCoefficient.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.GRAPHSHAPECOEFFICIENT" -></A ->Graph shape coefficient</H2 -><P ->Graph shape coefficient.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HBA1.html b/java/docs/feature/HBA1.html deleted file mode 100644 index 6dcb012..0000000 --- a/java/docs/feature/HBA1.html +++ /dev/null @@ -1,94 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HBA1" -></A ->Number of Hydrogen Bond Acceptors (HBA) 1</H2 -><P ->Number of Hydrogen Bond Acceptors (HBA) 1. -The default SMARTS pattern is: [$([!#6;+0]);!$([F,Cl,Br,I]);!$([o,s,nX3]);!$([Nv5,Pv5,Sv4,Sv6])].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HBA2.html b/java/docs/feature/HBA2.html deleted file mode 100644 index 4ad7747..0000000 --- a/java/docs/feature/HBA2.html +++ /dev/null @@ -1,94 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HBA2" -></A ->Number of Hydrogen Bond Acceptors (HBA) 2</H2 -><P ->Number of Hydrogen Bond Acceptors (HBA) 2. -The default SMARTS pattern is: [$([$([#8,#16]);!$(*=N~O);!$(*~N=O);X1,X2]),$([#7;v3;!$([nH]);!$(*(-a)-a)])].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HBD1.html b/java/docs/feature/HBD1.html deleted file mode 100644 index 58922cf..0000000 --- a/java/docs/feature/HBD1.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HBD1" -></A ->Number of Hydrogen Bond Donors (HBD) 1</H2 -><P ->Number of Hydrogen Bond Donors (HBD) 1. The default SMARTS pattern is: [!#6;!H0].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HBD2.html b/java/docs/feature/HBD2.html deleted file mode 100644 index a66a20f..0000000 --- a/java/docs/feature/HBD2.html +++ /dev/null @@ -1,94 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HBD2" -></A ->Number of Hydrogen Bond Donors (HBD) 2</H2 -><P ->Number of Hydrogen Bond Donors (HBD) 2. -The default SMARTS pattern is: [$([O;H1,-&!$(*-N=O)]),$([S;H1&X2,-&X1]),$([#7;H;!$(*(S(=O)=O)C(F)(F)F);!$(n1nnnc1);!$(n1nncn1)]),$([#7;-])].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HeavyBonds.html b/java/docs/feature/HeavyBonds.html deleted file mode 100644 index c460fba..0000000 --- a/java/docs/feature/HeavyBonds.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HEAVYBONDS" -></A ->Number of heavy bonds</H2 -><P ->Number of heavy bonds.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HeteroCycles.html b/java/docs/feature/HeteroCycles.html deleted file mode 100644 index d1e124f..0000000 --- a/java/docs/feature/HeteroCycles.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HETEROCYCLES" -></A ->Number of heterocycles</H2 -><P ->Number of heterocycles.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/HydrophobicGroups.html b/java/docs/feature/HydrophobicGroups.html deleted file mode 100644 index 020d78c..0000000 --- a/java/docs/feature/HydrophobicGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.HYDROPHOBICGROUPS" -></A ->Number of hydrophobic groups</H2 -><P ->Number of hydrophobic groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/IntrinsicState.html b/java/docs/feature/IntrinsicState.html deleted file mode 100644 index 82c8c76..0000000 --- a/java/docs/feature/IntrinsicState.html +++ /dev/null @@ -1,145 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.INTRINSICSTATE" -></A ->Intrinsic topological state</H2 -><P ->Intrinsic topological state [<A -HREF="bibliography.html#TC00" ->tc00</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->]. -<DIV -CLASS="EQUATION" -><A -NAME="AEN9" -></A -><P -><B ->Equation 1. Intrinsic topological state</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/istate.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->L<SUB ->i</SUB -></B -></SPAN -> is the principal quantum number, -<IMG -SRC="formulas/delta_i_nu.gif"> is the number of valence electrons, and -<IMG -SRC="formulas/delta_i.gif"> is the number of sigma electrons of the -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN ->th atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->a<SUB ->i</SUB -></B -></SPAN ->.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/KierShape1.html b/java/docs/feature/KierShape1.html deleted file mode 100644 index 9690413..0000000 --- a/java/docs/feature/KierShape1.html +++ /dev/null @@ -1,176 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.KIERSHAPE1" -></A ->Kier Shape 1</H2 -><P ->The Kier shape -<IMG -SRC="formulas/kier1.gif"> descriptor [<A -HREF="bibliography.html#TC00" ->tc00</A ->] -can be defined as :</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN10" -></A -><P -><B ->Equation 1. Kier shape 1</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/kier1_1.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P -><SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P<SUB ->max</SUB -></B -></SPAN -> is the maximum number of paths of length 1. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P<SUB ->min</SUB -></B -></SPAN -> is the minimum number of paths of length 1 in a molecule graph of same -atom number. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P1</B -></SPAN -> is the number of paths in the given molecule of length 1. -or:</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN21" -></A -><P -><B ->Equation 2. Kier shape 1 (alternative formulation)</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/kier1_2.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P -><SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->A</B -></SPAN -> means the number of nodes in the molecules graph. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P1</B -></SPAN -> is the number of paths of length 1 in the given molecule.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/KierShape2.html b/java/docs/feature/KierShape2.html deleted file mode 100644 index d3117b2..0000000 --- a/java/docs/feature/KierShape2.html +++ /dev/null @@ -1,131 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.KIERSHAPE2" -></A ->Kier shape 2</H2 -><P ->The Kier shape -<IMG -SRC="formulas/kier2.gif"> descriptor [<A -HREF="bibliography.html#TC00" ->tc00</A ->] -can be defined as :</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN10" -></A -><P -><B ->Equation 1. Kier shape 2</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/kier2_1.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P -><SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->A</B -></SPAN -> means the number of nodes in the molecules graph. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P2</B -></SPAN -> is the number of paths of length 2 in the given molecule.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/KierShape3.html b/java/docs/feature/KierShape3.html deleted file mode 100644 index 7b760b5..0000000 --- a/java/docs/feature/KierShape3.html +++ /dev/null @@ -1,131 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.KIERSHAPE3" -></A ->Kier shape 3</H2 -><P ->The Kier shape -<IMG -SRC="formulas/kier3.gif"> descriptor [<A -HREF="bibliography.html#TC00" ->tc00</A ->] -can be defined as :</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN10" -></A -><P -><B ->Equation 1. Kier shape 3</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/kier3_1.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P -><SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->A</B -></SPAN -> means the number of nodes in the molecules graph. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->P3</B -></SPAN -> is the number of paths of length 3 in the given molecule.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/LogP.html b/java/docs/feature/LogP.html deleted file mode 100644 index 914533b..0000000 --- a/java/docs/feature/LogP.html +++ /dev/null @@ -1,96 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.LOGP" -></A ->Octanol/Water partition coefficient (logP)</H2 -><P ->Octanol/Water partition coefficient (logP) or hydrophobicity [<A -HREF="bibliography.html#WC99" ->wc99</A ->].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/MolarRefractivity.html b/java/docs/feature/MolarRefractivity.html deleted file mode 100644 index 88757de..0000000 --- a/java/docs/feature/MolarRefractivity.html +++ /dev/null @@ -1,96 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.MOLARREFRACTIVITY" -></A ->Molar refractivity (MR)</H2 -><P ->Molar refractivity (MR) [<A -HREF="bibliography.html#WC99" ->wc99</A ->].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/MolecularWeight.html b/java/docs/feature/MolecularWeight.html deleted file mode 100644 index e463e1c..0000000 --- a/java/docs/feature/MolecularWeight.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.MOLECULARWEIGHT" -></A ->Molecular weight (MW)</H2 -><P ->Molecular weight (MW).</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/MoleculeHashcode.html b/java/docs/feature/MoleculeHashcode.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/MoleculeHashcode.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/NO2Groups.html b/java/docs/feature/NO2Groups.html deleted file mode 100644 index 6fa91d4..0000000 --- a/java/docs/feature/NO2Groups.html +++ /dev/null @@ -1,97 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NO2GROUPS" -></A ->Number of -NO<SUB ->2</SUB -> groups</H2 -><P ->Number of -NO<SUB ->2</SUB -> groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfAtoms.html b/java/docs/feature/NumberOfAtoms.html deleted file mode 100644 index f79063f..0000000 --- a/java/docs/feature/NumberOfAtoms.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFATOMS" -></A ->Number of atoms</H2 -><P ->Number of atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfB.html b/java/docs/feature/NumberOfB.html deleted file mode 100644 index fd7e2e4..0000000 --- a/java/docs/feature/NumberOfB.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFB" -></A ->Number of boron atoms</H2 -><P ->Number of boron atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfBonds.html b/java/docs/feature/NumberOfBonds.html deleted file mode 100644 index 22dfb7e..0000000 --- a/java/docs/feature/NumberOfBonds.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFBONDS" -></A ->Number of bonds</H2 -><P ->Number of bonds.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfBr.html b/java/docs/feature/NumberOfBr.html deleted file mode 100644 index 5807bb9..0000000 --- a/java/docs/feature/NumberOfBr.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFBR" -></A ->Number of bromine atoms</H2 -><P ->Number of bromine atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfC.html b/java/docs/feature/NumberOfC.html deleted file mode 100644 index a1b224e..0000000 --- a/java/docs/feature/NumberOfC.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFC" -></A ->Number of carbon atoms</H2 -><P ->Number of carbon atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfCl.html b/java/docs/feature/NumberOfCl.html deleted file mode 100644 index 04892d5..0000000 --- a/java/docs/feature/NumberOfCl.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFCL" -></A ->Number of chlorine atoms</H2 -><P ->Number of chlorine atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfF.html b/java/docs/feature/NumberOfF.html deleted file mode 100644 index c12b2f5..0000000 --- a/java/docs/feature/NumberOfF.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFF" -></A ->Number of fluorine atoms</H2 -><P ->Number of fluorine atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfHal.html b/java/docs/feature/NumberOfHal.html deleted file mode 100644 index 11df356..0000000 --- a/java/docs/feature/NumberOfHal.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFHAL" -></A ->Number of halogen atoms</H2 -><P ->Number of halogen atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfI.html b/java/docs/feature/NumberOfI.html deleted file mode 100644 index 0580e12..0000000 --- a/java/docs/feature/NumberOfI.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFI" -></A ->Number of iodine atoms</H2 -><P ->Number of iodine atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfN.html b/java/docs/feature/NumberOfN.html deleted file mode 100644 index bd65ada..0000000 --- a/java/docs/feature/NumberOfN.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFN" -></A ->Number of nitrogen atoms</H2 -><P ->Number of nitrogen atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfO.html b/java/docs/feature/NumberOfO.html deleted file mode 100644 index 7ecbe0a..0000000 --- a/java/docs/feature/NumberOfO.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFO" -></A ->Number of oxygen atoms</H2 -><P ->Number of oxygen atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfP.html b/java/docs/feature/NumberOfP.html deleted file mode 100644 index 3669e91..0000000 --- a/java/docs/feature/NumberOfP.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFP" -></A ->Number of phosphorus atoms</H2 -><P ->Number of phosphorus atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/NumberOfS.html b/java/docs/feature/NumberOfS.html deleted file mode 100644 index b735ee5..0000000 --- a/java/docs/feature/NumberOfS.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.NUMBEROFS" -></A ->Number of sulfur atoms</H2 -><P ->Number of sulfur atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/OSOGroups.html b/java/docs/feature/OSOGroups.html deleted file mode 100644 index ca49ebf..0000000 --- a/java/docs/feature/OSOGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.OSOGROUPS" -></A ->Number of -OSO atoms</H2 -><P ->Number of -OSO atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/PolarSurfaceArea.html b/java/docs/feature/PolarSurfaceArea.html deleted file mode 100644 index 357056f..0000000 --- a/java/docs/feature/PolarSurfaceArea.html +++ /dev/null @@ -1,96 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.POLARSURFACEAREA" -></A ->Polar surface area (PSA)</H2 -><P ->Polar surface area (PSA) [<A -HREF="bibliography.html#ERS00" ->ers00</A ->].</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/RadialDistributionFunction.html b/java/docs/feature/RadialDistributionFunction.html deleted file mode 100644 index 09d9600..0000000 --- a/java/docs/feature/RadialDistributionFunction.html +++ /dev/null @@ -1,230 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.RADIALDISTRIBUTIONFUNCTION" -></A ->Radial distribution function (RDF)</H2 -><P ->The radial distribution function (RDF) [<A -HREF="bibliography.html#MSG99" ->msg99</A ->,<A -HREF="bibliography.html#WFZ04B" ->wfz04b</A ->] can be interpreted as the probability distribution of finding an atom in a spherical volume of -radius <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->r</B -></SPAN ->. -<DIV -CLASS="EQUATION" -><A -NAME="AEN14" -></A -><P -><B ->Equation 1. Radial distribution function</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/rdf.gif" -ALIGN="CENTER"></P -></DIV -></DIV -> -where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->r<SUB ->ij</SUB -></B -></SPAN -> is the geometrical distance between the atoms -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> and atom <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->j</B -></SPAN ->, <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->w<SUB ->i</SUB -></B -></SPAN -> -and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->w<SUB ->j</SUB -></B -></SPAN -> are the atom properties of the atoms <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> and -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->j</B -></SPAN ->. <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->B</B -></SPAN -> is the smoothing parameter -(fuzziness of the distance <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->r<SUB ->ij</SUB -></B -></SPAN ->) for the interatomic distance and -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->f</B -></SPAN -> the scaling factor.</P -><P ->If <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->B</B -></SPAN -> aims to infinity the RDF code approximates to the autocorrelation function () and the fuzziness -of the distance <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->r<SUB ->ij</SUB -></B -></SPAN -> vanishes. So the RDF code can be treated as a generalized -autocorrelation function.</P -><P ->The RDF user parameters can be defined in the <TT -CLASS="FILENAME" ->joelib.properties</TT ->-file, otherwise the default parameters will be used:</P -><PRE -CLASS="PROGRAMLISTING" ->jcompchem.joelib.desc.types.RadialDistributionFunction.minSphericalVolume = 0.2 -joelib.desc.types.RadialDistributionFunction.maxSphericalVolume = 10.0 -joelib.desc.types.RadialDistributionFunction.sphericalVolumeResolution = 0.2 -joelib.desc.types.RadialDistributionFunction.smoothingFactor = 25</PRE -><P ->Optional the RDF can be calculated with protonated molecules, but you must be sure that all available atom -properties are calculated with hydrogens also. Because this is not the standard, this option should be only used by developers.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/RotatableBonds.html b/java/docs/feature/RotatableBonds.html deleted file mode 100644 index 42ef0d9..0000000 --- a/java/docs/feature/RotatableBonds.html +++ /dev/null @@ -1,94 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ROTATABLEBONDS" -></A ->Number of rotatable bonds</H2 -><P ->Number of rotatable bonds, where the atoms are heavy atoms with bond order one and a hybridization which is not one (no sp). -Additionally the bond is a non-ring-bond.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/SMILESMolecule.html b/java/docs/feature/SMILESMolecule.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/SMILESMolecule.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/SO2Groups.html b/java/docs/feature/SO2Groups.html deleted file mode 100644 index e4cd9a7..0000000 --- a/java/docs/feature/SO2Groups.html +++ /dev/null @@ -1,97 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.SO2GROUPS" -></A ->Number of -SO<SUB ->2</SUB -> atoms</H2 -><P ->Number of -SO<SUB ->2</SUB -> atoms.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/SOGroups.html b/java/docs/feature/SOGroups.html deleted file mode 100644 index fd3e45a..0000000 --- a/java/docs/feature/SOGroups.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.SOGROUPS" -></A ->Number of -SO groups</H2 -><P ->Number of -SO groups.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/SSKey3DS.html b/java/docs/feature/SSKey3DS.html deleted file mode 100644 index fad741d..0000000 --- a/java/docs/feature/SSKey3DS.html +++ /dev/null @@ -1,779 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.SSKEY3DS" -></A ->Pharmacophore fingerprint</H2 -><P ->Pharmacophore fingerprint [<A -HREF="bibliography.html#GXSB00" ->gxsb00</A ->]. -<DIV -CLASS="TABLE" -><A -NAME="AEN8" -></A -><P -><B ->Table 1. Pharmacophore fingerprint definition</B -></P -><TABLE -BORDER="1" -CLASS="CALSTABLE" -><THEAD -><TR -><TH -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Bit position</TH -><TH -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Set when</TH -></TR -></THEAD -><TBODY -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->1</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Fraction of rotatable bonds > 0.0</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->2</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Fraction of rotatable bonds > 0.1</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->3</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Fraction of rotatable bonds > 0.2</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->4</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Fraction of rotatable bonds > 0.3</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->5</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Fraction of rotatable bonds > 0.4</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->6</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 2</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->7</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 8</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->8</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 16</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->9</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 20</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->10</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 26</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->11</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 32</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->12</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Aromatic bonds in molecule > 38</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->13</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a heterocycle</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->14</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an aromatic hydroxy group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->15</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an aliphatic hydroxy group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->16</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an aliphatic secondary amine</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->17</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an aliphatic tertiary amine</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->18</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a phenyl ring</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->19</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a ring containing nitrogen</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->20</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a -SO<SUB ->2</SUB -> group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->21</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a -SO</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->22</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an ester </TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->23</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an amide </TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->24</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a 5-membered non-aromatic ring</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->25</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a 5-membered aromatic ring</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->26</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a 9-membered or larger (fused) ring</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->27</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a fused ring system</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->28</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a fused aromatic ring system</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->29</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a -OSO group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->30</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a halogen atom</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->31</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a nitrogen atom attached to alpha-carbon of aromatic system</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->32</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a -NO<SUB ->2</SUB -> group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->33</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains rings separated by 2-3 non-ring atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->34</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains rings separated by 4-5 non-ring atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->35</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a NN group</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->36</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a carbon atom attached to 3 carbons and a hetero atom</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->37</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains an oxygen atom separated by 2 atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->38</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a methyl group attached to hetero atom</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->39</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a double bond</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->40</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a non-H atom linked to 3 heteroatoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->41</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a quaternary atom</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->42</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains 2 methylenes separated by 2 atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->43</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains a non-ring oxygen atom attached to aromatic system</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->44</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Molecule contains 2 non-C,H atoms separated by 2 atoms</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->45</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 1</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->46</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 2</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->47</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 3</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->48</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 4</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->49</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 5</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->50</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 6</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->51</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 7</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->52</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 8</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->53</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 9</TD -></TR -><TR -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->54</TD -><TD -WIDTH="50%" -ALIGN="LEFT" -VALIGN="TOP" ->Number of hydrogen bond acceptors >= 10</TD -></TR -></TBODY -></TABLE -></DIV -></P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/TopologicalAtomPair.html b/java/docs/feature/TopologicalAtomPair.html deleted file mode 100644 index 32731b0..0000000 --- a/java/docs/feature/TopologicalAtomPair.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.TOPOLOGICALATOMPAIR" -></A ->Valence</H2 -><P ->Atom pair descriptor using topological distances.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/TopologicalDiameter.html b/java/docs/feature/TopologicalDiameter.html deleted file mode 100644 index 660bbb6..0000000 --- a/java/docs/feature/TopologicalDiameter.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.TOPOLOGICALDIAMETER" -></A ->Topological diameter</H2 -><P ->Topological diameter.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/TopologicalRadius.html b/java/docs/feature/TopologicalRadius.html deleted file mode 100644 index 07299fa..0000000 --- a/java/docs/feature/TopologicalRadius.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.TOPOLOGICALRADIUS" -></A ->Topological radius</H2 -><P ->Topological radius.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/WeightedBurdenEigenvalues.html b/java/docs/feature/WeightedBurdenEigenvalues.html deleted file mode 100644 index 0d10a46..0000000 --- a/java/docs/feature/WeightedBurdenEigenvalues.html +++ /dev/null @@ -1,3 +0,0 @@ -<HTML> -Dummy -</HTML>
\ No newline at end of file diff --git a/java/docs/feature/WeightedBurdenModifiedEigenvalues.html b/java/docs/feature/WeightedBurdenModifiedEigenvalues.html deleted file mode 100644 index 0e93938..0000000 --- a/java/docs/feature/WeightedBurdenModifiedEigenvalues.html +++ /dev/null @@ -1,93 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.WEIGHTEDBURDENMODIFIEDEIGENVALUES" -></A ->Weighted burden modified eigenvalues</H2 -><P ->Accepts six different weighted atom properties to calculate BCUT values.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/ZagrebIndex1.html b/java/docs/feature/ZagrebIndex1.html deleted file mode 100644 index 130990f..0000000 --- a/java/docs/feature/ZagrebIndex1.html +++ /dev/null @@ -1,123 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ZAGREBINDEX1" -></A ->Zagreb index 1</H2 -><P ->Zagreb index 1 [<A -HREF="bibliography.html#TC00" ->tc00</A ->].</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN8" -></A -><P -><B ->Equation 1. Zagreb index 1</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/zagreb1.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P ->where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->a</B -></SPAN -> are all atoms of the hydrogen depleted graph and -<IMG -SRC="formulas/delta.gif"> is the vertex degree.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/ZagrebIndex2.html b/java/docs/feature/ZagrebIndex2.html deleted file mode 100644 index 735a797..0000000 --- a/java/docs/feature/ZagrebIndex2.html +++ /dev/null @@ -1,143 +0,0 @@ -<HTML -><HEAD -><TITLE -></TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="NEXT" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="ARTICLE" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="ARTICLE" -><DIV -CLASS="SECT1" -><H1 -CLASS="SECT1" -><A -NAME="JOELIB.DESCRIPTOR" -></A ->Descriptor</H1 -><DIV -CLASS="SECT2" -><H2 -CLASS="SECT2" -><A -NAME="JOELIB.DESCRIPTORS.ZAGREBINDEX2" -></A ->Zagreb index 2</H2 -><P ->Zagreb index 2 [<A -HREF="bibliography.html#TC00" ->tc00</A ->].</P -><DIV -CLASS="EQUATION" -><A -NAME="AEN8" -></A -><P -><B ->Equation 1. Zagreb index 2</B -></P -><DIV -CLASS="MEDIAOBJECT" -><P -><IMG -SRC="formulas/zagreb2.gif" -ALIGN="CENTER"></P -></DIV -></DIV -><P ->where <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->b</B -></SPAN -> are all bonds of the hydrogen depleted graph and -<IMG -SRC="formulas/delta.gif"> is the vertex degree. -<SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->i</B -></SPAN -> and <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->j</B -></SPAN -> are the atom indices -of the atoms connected to the bond <SPAN -CLASS="bold" -><B -CLASS="EMPHASIS" ->b</B -></SPAN ->.</P -></DIV -></DIV -></DIV -><DIV -CLASS="NAVFOOTER" -><HR -ALIGN="LEFT" -WIDTH="100%"><TABLE -SUMMARY="Footer navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" -><A -HREF="bibliography.html" -ACCESSKEY="N" ->Next</A -></TD -></TR -><TR -><TD -WIDTH="33%" -ALIGN="left" -VALIGN="top" -> </TD -><TD -WIDTH="34%" -ALIGN="center" -VALIGN="top" -> </TD -><TD -WIDTH="33%" -ALIGN="right" -VALIGN="top" ->Bibliography</TD -></TR -></TABLE -></DIV -></BODY -></HTML ->
\ No newline at end of file diff --git a/java/docs/feature/bibliography.html b/java/docs/feature/bibliography.html deleted file mode 100644 index 0770682..0000000 --- a/java/docs/feature/bibliography.html +++ /dev/null @@ -1,911 +0,0 @@ -<HTML -><HEAD -><TITLE ->Bibliography</TITLE -><META -NAME="GENERATOR" -CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK -REL="HOME" -HREF="ZagrebIndex2.html"><LINK -REL="PREVIOUS" -TITLE="Bibliography" -HREF="bibliography.html"></HEAD -><BODY -CLASS="BIBLIOGRAPHY" -BGCOLOR="#FFFFFF" -TEXT="#000000" -LINK="#0000FF" -VLINK="#840084" -ALINK="#0000FF" -><DIV -CLASS="NAVHEADER" -><TABLE -SUMMARY="Header navigation table" -WIDTH="100%" -BORDER="0" -CELLPADDING="0" -CELLSPACING="0" -><TR -><TH -COLSPAN="3" -ALIGN="center" -></TH -></TR -><TR -><TD -WIDTH="10%" -ALIGN="left" -VALIGN="bottom" -><A -HREF="bibliography.html" -ACCESSKEY="P" ->Prev</A -></TD -><TD -WIDTH="80%" -ALIGN="center" -VALIGN="bottom" -></TD -><TD -WIDTH="10%" -ALIGN="right" -VALIGN="bottom" -> </TD -></TR -></TABLE -><HR -ALIGN="LEFT" -WIDTH="100%"></DIV -><A -NAME="AEN20" -></A -><H1 -><A -NAME="AEN20" -></A ->Bibliography</H1 -><DIV -CLASS="BIBLIOENTRY" -><A -NAME="BMV84" -></A -><P ->[bmv84] <SPAN -CLASS="AUTHOR" ->P. 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Gasteiger</SPAN ->, <I -CLASS="CITETITLE" ->Deriving the 3D Structure of Organic Molecules from their Infrared Spectra</I ->, <I -CLASS="CITETITLE" ->Vibrat. Spect.</I ->, 19, 63-67, 1999.</P -><DIV -CLASS="BIBLIOENTRYBLOCK" -STYLE="margin-left: 0.5in" -></DIV -></DIV -><DIV -CLASS="BIBLIOENTRY" -><A -NAME="SDF" -></A -><P ->[sdf] Inc. MDL Information Systems, <I -><A -HREF="http://www.mdli.com/downloads/literature/ctfile.pdf" -TARGET="_top" ->Structured Data File format</A -></I ->.</P -><DIV -CLASS="BIBLIOENTRYBLOCK" -STYLE="margin-left: 0.5in" -></DIV -></DIV -><DIV -CLASS="BIBLIOENTRY" -><A -NAME="SMARTS" -></A -><P ->[smarts] Inc. Daylight Chemical Information Systems, <I -><A -HREF="http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html" -TARGET="_top" ->Smiles ARbitrary Target Specification (SMARTS)</A -></I ->.</P -><DIV -CLASS="BIBLIOENTRYBLOCK" -STYLE="margin-left: 0.5in" -></DIV -></DIV -><DIV -CLASS="BIBLIOENTRY" -><A -NAME="SMILES" -></A -><P ->[smiles] Inc. 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