From 267a6ca684e01c334b025a5bb452dde17a9caf30 Mon Sep 17 00:00:00 2001 From: Greg Landrum Date: Thu, 22 Nov 2007 05:25:36 +0000 Subject: [PATCH] fix sf.net bug 1836242: "Bug in AtomType definition for Carbon_Polar" --- Data/BaseFeatures.fdef | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Data/BaseFeatures.fdef b/Data/BaseFeatures.fdef index f5ebadd5e..113c32f77 100644 --- a/Data/BaseFeatures.fdef +++ b/Data/BaseFeatures.fdef @@ -144,8 +144,8 @@ EndFeature # any carbon that is not bonded to a polar atom is considered a hydrophobe # # generic non-polar carbon atom -AtomType Carbon_Polar [$([#6][#7,#8,#9])] -AtomType Carbon_NonPolar [#6;!{Carbon_Polar}] +AtomType Carbon_Polar [#6;$([#6]~[#7,#8,#9])] +AtomType Carbon_NonPolar [#6;+0;!{Carbon_Polar}] DefineFeature ThreeWayAttach [D3,D4;{Carbon_NonPolar}] Family Hydrophobe