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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.FoldingXyzReader
public class FoldingXyzReader
This reader is for current.xyz files generated by Folding@Home project (see http://folding.stanford.edu) I have not found a precise description of the file format. I used source code from fpd from Dick Howell to analyze the file format. (see http://boston.quik.com/rph)
Field Summary | |
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private static boolean |
useAutoBond
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Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader |
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ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, doApplySymmetry, filter, getHeader, haveAtomFilter, havePartialChargeFilter, htParams, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveSymmetryOperators, iHaveUnitCell, isTrajectory, latticeCells, line, modelNumber, needToApplySymmetry, next, prevline, reader, readerName, spaceGroup, templateAtomCount |
Constructor Summary | |
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FoldingXyzReader()
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Method Summary | |
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(package private) void |
readAtoms(int modelAtomCount)
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void |
readAtomSetCollection(java.io.BufferedReader reader)
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Field Detail |
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private static final boolean useAutoBond
Constructor Detail |
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public FoldingXyzReader()
Method Detail |
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public void readAtomSetCollection(java.io.BufferedReader reader)
readAtomSetCollection
in class AtomSetCollectionReader
void readAtoms(int modelAtomCount) throws java.lang.Exception
modelAtomCount
-
java.lang.Exception
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