From: <eg...@us...> - 2008-01-17 07:08:14
|
Revision: 9918 http://cdk.svn.sourceforge.net/cdk/?rev=9918&view=rev Author: egonw Date: 2008-01-16 23:08:06 -0800 (Wed, 16 Jan 2008) Log Message: ----------- A bit more comment... should really move to OWL soon Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/config/data/cdk_atomtypes.xml Modified: trunk/cdk/src/org/openscience/cdk/config/data/cdk_atomtypes.xml =================================================================== --- trunk/cdk/src/org/openscience/cdk/config/data/cdk_atomtypes.xml 2008-01-17 07:03:28 UTC (rev 9917) +++ trunk/cdk/src/org/openscience/cdk/config/data/cdk_atomtypes.xml 2008-01-17 07:08:06 UTC (rev 9918) @@ -305,7 +305,7 @@ <scalar dataType="xsd:string" dictRef="cdk:hybridization">sp3</scalar> </atomType> - <atomType id="S.onyl.charged"> <!-- e.g. H2SO4 --> + <atomType id="S.onyl.charged"> <!-- e.g. H2SO4 with 2x [S+]-[O-] --> <atom elementType="S" formalCharge="2"> <scalar dataType="xsd:integer" dictRef="cdk:formalNeighbourCount">4</scalar> <scalar dataType="xsd:integer" dictRef="cdk:lonePairCount">0</scalar> This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |