From: <ha...@us...> - 2010-07-14 22:41:45
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Revision: 13576 http://jmol.svn.sourceforge.net/jmol/?rev=13576&view=rev Author: hansonr Date: 2010-07-14 22:41:39 +0000 (Wed, 14 Jul 2010) Log Message: ----------- 12.0.RC25 VERSION # bug fix: write PDB not correctly justifying atom names Modified Paths: -------------- trunk/Jmol/src/org/jmol/modelset/ModelCollection.java Modified: trunk/Jmol/src/org/jmol/modelset/ModelCollection.java =================================================================== --- trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2010-07-14 22:37:26 UTC (rev 13575) +++ trunk/Jmol/src/org/jmol/modelset/ModelCollection.java 2010-07-14 22:41:39 UTC (rev 13576) @@ -1171,14 +1171,14 @@ boolean leftJustify = (a.getElementSymbol().length() == 2 || a .getAtomName().length() == 4); if (!models[a.modelIndex].isPDB) - s = (leftJustify ? "HETATM%5i %-4a%1AUNK %1c 1%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n" - : "HETATM%5i %-4a%1AUNK %1c 1%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n"); + s = (leftJustify ? "HETATM%5i %-4a%1AUNK %1c 1%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n" + : "HETATM%5i %-4a%1AUNK %1c 1%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n"); else if (a.isHetero()) - s = (leftJustify ? "HETATM%5i %-4a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n" - : "HETATM%5i %-3a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n"); + s = (leftJustify ? "HETATM%5i %-4a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n" + : "HETATM%5i %-3a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n"); else - s = (leftJustify ? "ATOM %5i %-4a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n" - : "ATOM %5i %-3a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol] \n"); + s = (leftJustify ? "ATOM %5i %-4a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n" + : "ATOM %5i %-3a%1A%3.3n %1c%4R%1E %8.3x%8.3y%8.3z%6.2Q%6.2b %2[symbol]\n"); sb.append(LabelToken.formatLabel(viewer, a, s)); } if (showModels) This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |