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 | |
|---|---|
| String | header |
| static String | isotopeMap0 |
| static String | isotopeMap1 |
| Method Summary | |
|---|---|
| void | flushLines() |
| void | processCtab() |
| void | processMolSdHeader() |
| void | processRgHeader() |
| void | readAtoms(int atomCount) |
| AtomSetCollection | readAtomSetCollection(BufferedReader reader) |
| void | readBonds(int atom0, int bondCount) |