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 | |
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boolean | iHaveAtomSet |
boolean | isCmdf |
String[] | sfacElementSymbols |
static String[] | supportedRecordTypes |
static String[] | unsupportedRecordTypes |
Method Summary | |
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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) |