EDUtilsSymmetry.EDUtilsSymmetry

Class EDUtilsSymmetry

This utility class contains methods useful for handling symmetries.

Static Methods

getMinimumSymmetrySpaceGroupFromBravaisLattice(_strBravaisLattice)
This static method returns a string containing the name of the space group with minimum symmetry that corresponds to a given two-letter Bravais Lattice.

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getNumberOfSymmetryOperatorsFromSpaceGroupITNumber(_strSpaceGroupId, _strSymmetryTableFileName)

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getNumberOfSymmetryOperatorsFromSpaceGroupName(_strSpaceGroupName, _strSymmetryTableFileName)

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getNumberOfSymmetryOperators(_strSpaceGroupIdOrName, _iIndex, _strSymmetryTableFileName)

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getITNumberFromSpaceGroupName(_strSpaceGroupName, _strSymmetryTableFileName)

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getMinimumSymmetrySpaceGroupFromBravaisLattice(_strBravaisLattice)
Static Method

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This static method returns a string containing the name of the space group with minimum symmetry that corresponds to a given two-letter Bravais Lattice.

Note that the "hR" Bravais Lattice is translated into the "H3" and not the "R3" space group since the "H3" space group is the one used in MX in general and in particular for structures deposited in the PDB.

If the Bravais Lattice is not recognised a "None" object is returned.

Class EDUtilsSymmetry

getMinimumSymmetrySpaceGroupFromBravaisLattice(_strBravaisLattice) Static Method

getMinimumSymmetrySpaceGroupFromBravaisLattice(_strBravaisLattice)
Static Method