From: <ahe...@us...> - 2010-02-28 11:46:44
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Revision: 12511 http://jmol.svn.sourceforge.net/jmol/?rev=12511&view=rev Author: aherraez Date: 2010-02-28 11:46:29 +0000 (Sun, 28 Feb 2010) Log Message: ----------- all water should be in the 'solvent' set # Fixing the previous one to include non-water solvent (SOL, UREA) too. Modified Paths: -------------- branches/v11_8/Jmol/src/org/jmol/viewer/JmolConstants.java Modified: branches/v11_8/Jmol/src/org/jmol/viewer/JmolConstants.java =================================================================== --- branches/v11_8/Jmol/src/org/jmol/viewer/JmolConstants.java 2010-02-28 10:26:19 UTC (rev 12510) +++ branches/v11_8/Jmol/src/org/jmol/viewer/JmolConstants.java 2010-02-28 11:46:29 UTC (rev 12511) @@ -2700,10 +2700,9 @@ // // solvent // - //"@solvent _g>="+GROUPID_WATER+" & _g<="+GROUPID_SULPHATE, // water or ions - // but this does not include 'calculated' water (i.e. non-groupID water) + "@solvent water, (_g>="+GROUPID_WATER+" & _g<="+GROUPID_SULPHATE+")", // water or ions + // make sure to also include 'calculated' water (i.e. non-groupID water) "@ions _g="+(GROUPID_SULPHATE - 1)+",_g="+GROUPID_SULPHATE, - "@solvent water, ions", // I think this is better, all water should be solvent // // structure related This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |