Pydoc: module csPotTools
Helper functions for the Camshift energy term csPot.
Functions |
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- analyze(potList)
- perform analysis of csPot terms and return nicely formatted summary
- create_CSPot(name, restraints='', filename=None, format='plain', saveSet=None, version='1', segid=None, ambiguousGlyHA=False, defaultError=1, useTableErrors=False, selection='not PSEUDO', selectionFilter='all', iupacNaming=False, verbose=False)
- iupacNaming - set to True when using IUPAC names
The selection argument specifies which atoms are included in the chemical
shift calculation.
The selectionFitler argument is passed to CSPot to filter which
chemical shifts will be used as restraints.
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