From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/docs/feature/HBA2.html | 94 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 94 insertions(+) create mode 100644 java/docs/feature/HBA2.html (limited to 'java/docs/feature/HBA2.html') diff --git a/java/docs/feature/HBA2.html b/java/docs/feature/HBA2.html new file mode 100644 index 0000000..4ad7747 --- /dev/null +++ b/java/docs/feature/HBA2.html @@ -0,0 +1,94 @@ +

Descriptor

Number of Hydrogen Bond Acceptors (HBA) 2

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)])].

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