org.jmol.adapter.readers.more
public class ShelxReader extends AtomSetCollectionReader
A reader for SHELX files. It currently supports SHELXL.
The SHELXL format is described on the net: http://www.msg.ucsf.edu/local/programs/shelxl/ch_07.html. modified by Bob Hanson 2006/04 to allow variant CrystalMaker .cmdf file reading. symmetry added by Bob Hanson: setFractionalCoordinates() setSpaceGroupName() setSymmetryOperator() setUnitCellItem() setAtomCoord() applySymmetry()
| Field Summary | |
|---|---|
| boolean | iHaveAtomSet |
| boolean | isCmdf |
| String[] | sfacElementSymbols |
| static String[] | supportedRecordTypes |
| static String[] | unsupportedRecordTypes |
| Method Summary | |
|---|---|
| void | assumeAtomRecord() |
| void | cell() |
| String | getSymbol(String sym) |
| void | parseLattRecord() |
| void | parseSfacCoefficients(String[] sfacTokens) |
| void | parseSfacElementSymbols(String[] sfacTokens) |
| void | parseSfacRecord() |
| void | parseSymmRecord() |
| void | processCmdfAtoms() |
| void | processSupportedRecord(int recordIndex) |
| AtomSetCollection | readAtomSetCollection(BufferedReader reader) |