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Pydoc: module csPotTools
 
csPotTools		 index


 
Helper functions for the Camshift energy term csPot.

 
Functions
       
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.