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Pydoc: module cifTools

cifTools

index

Functions

addToAtomSite(dataBlock, selection='known', model=None, occupancies=None, bfactors=None, coordPrecision=3, addICode=False): Given a dataBlock with an existing atom_site category created by
genAtomSite, add additional entries corresponding to an additional
PDB model. The occupancies, bfactors and addICode arguments must
match those passed to genAtomSite.

genAtomSite(selection='known', model=None, occupancies=None, bfactors=None, coordPrecision=3, occupancyPrecision=3, bfactorPrecision=3, addICode=False, dataBlock=None): Given the atomSel.AtomSel selection, return a CifDatablock
with an atom_site category added.

Fields not populated are simply not written.

If specified, occupancies and bfactors must be arrays with the same length
as selection.

The number of digits after the decimal of the output coordinates is given
by coordPrecision.

If dataBlock is not specified, a new CifDatablock is created.

models(filename=None, cifString=None): Given a filename of a mmCif file or a string with mmCif contents,
return a sorted list of unique pdbx_PDB_model_num entries in the atom_site
category.