From: <ha...@us...> - 2014-02-06 21:06:21
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Revision: 19274 http://sourceforge.net/p/jmol/code/19274 Author: hansonr Date: 2014-02-06 21:06:18 +0000 (Thu, 06 Feb 2014) Log Message: ----------- adds spacegroup and trajectory capability to Tinker/FoldingAtHome readers Modified Paths: -------------- trunk/Jmol/src/org/jmol/adapter/readers/simple/FoldingXyzReader.java trunk/Jmol/src/org/jmol/viewer/Jmol.properties Modified: trunk/Jmol/src/org/jmol/adapter/readers/simple/FoldingXyzReader.java =================================================================== --- trunk/Jmol/src/org/jmol/adapter/readers/simple/FoldingXyzReader.java 2014-02-06 21:01:22 UTC (rev 19273) +++ trunk/Jmol/src/org/jmol/adapter/readers/simple/FoldingXyzReader.java 2014-02-06 21:06:18 UTC (rev 19274) @@ -58,6 +58,12 @@ atomSetCollection.setNoAutoBond(); } + @Override + protected void finalizeReader() throws Exception { + isTrajectory = false; + finalizeReaderASCR(); + } + /** * @return true if next line needs to be read. * @@ -139,8 +145,10 @@ } } } - if (addAtoms) + if (addAtoms) { makeBonds(i0, bonds, !checking && haveAtomTypes); + applySymmetryAndSetTrajectory(); + } return readNextLine; } Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-02-06 21:01:22 UTC (rev 19273) +++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-02-06 21:06:18 UTC (rev 19274) @@ -31,7 +31,10 @@ -- read as "1 through 5 and then 10 through 6" new feature: Tinker file reader (and FoldingXYZ reader upgrade) - + -- Can use Tinker:: but this is only required if first line is JUST an atomCount + -- accommodates older Tinker format with n-1 atoms for atomCount + -- allows for trajectories and desired model number + code: refactoring to enable SWING in JavaScript for all menus new feature: (actually 13.1 but undocumented) animation frame [ 51 50 49 48 47 46 45 (etc) 27 1 2 3 4 5 6 7 (etc)....] This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |