org.jmol.adapter.readers.molxyz
public class MolReader extends AtomSetCollectionReader
http://www.mdli.com/downloads/public/ctfile/ctfile.jsp
also: http://www.mdl.com/downloads/public/ctfile/ctfile.pdf simple symmetry extension via load command: 9/2006 hansonr@stolaf.edu setAtomCoord(atom, x, y, z) applySymmetry()
Field Summary | |
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String | header |
static String | isotopeMap0 |
static String | isotopeMap1 |
Method Summary | |
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void | flushLines() |
void | processCtab() |
void | processMolSdHeader() |
void | processRgHeader() |
void | readAtoms(int atomCount) |
AtomSetCollection | readAtomSetCollection(BufferedReader reader) |
void | readBonds(int atom0, int bondCount) |