diff options
Diffstat (limited to 'java/joelib2/data/plain/aromatic.txt')
| -rw-r--r-- | java/joelib2/data/plain/aromatic.txt | 54 |
1 files changed, 0 insertions, 54 deletions
diff --git a/java/joelib2/data/plain/aromatic.txt b/java/joelib2/data/plain/aromatic.txt deleted file mode 100644 index 0d7c9c5..0000000 --- a/java/joelib2/data/plain/aromatic.txt +++ /dev/null @@ -1,54 +0,0 @@ -VENDOR: http://joelib.sf.net
-RELEASE_VERSION: $Revision: 1.4 $
-RELEASE_DATE: $Date: 2005/02/08 20:25:34 $
-
-########################################################################
-# Copyright OELIB: OpenEye Scientific Software, Santa Fe,
-# U.S.A., 1999,2000,2001
-# Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of
-# Tuebingen, Germany, 2001,2002,2003,2004,2005
-# Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany,
-# 2003,2004,2005
-#
-# This program is free software; you can redistribute it and/or modify
-# it under the terms of the GNU General Public License as published by
-# the Free Software Foundation version 2 of the License.
-#
-# This program is distributed in the hope that it will be useful,
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-# GNU General Public License for more details.
-########################################################################
-
-#PATTERN MIN MAX
-#carbon patterns
-[#6Q2r+,#6Q3r+] 1 1
-[#6r]=@* 1 1
-[#6rQ3]=!@* 1 1
-# external double bonds to hetero atoms contribute no electrons to the
-# aromatic system. This makes sense, because chinoid systems are non-
-# aromatic, e.g. 1,4-Benzochinon
-[#6rQ3]=!@[!#6] 0 0
-[#6rQ3-] 2 2
-
-#nitrogen patterns
-[#7r](-@*)-@* 2 2
-[#7rQ2]=@* 1 1
-[#7Q3+] 1 1
-[#7rQ3]=O 1 1
-[#7Q2-] 2 2
-
-#oxygen patterns
-[#8r] 2 2
-[#8r+] 1 1
-
-#sulfur patterns
-[#16rQ2] 2 2
-[#16rQ2+] 1 1
-[#16rQ3]=!@O 2 2
-
-#other misc patterns
-[#15rQ3] 2 2
-#[#34rQ2] 2 2
-#[#52rQ2] 2 2
-
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