tools to aid in setup/analysis of dipolar coupling potential term.
this module provides functions to simplify the creation and
analysis of jCoupPot.JCoupPot potential terms.
- perform analysis of JCoupPot terms and return nicely formatted summary
- create_JCoupPot(name, file=0, A=0, B=0, C=0, phase=-60, sim=0, restraints='')
- create an jCoupPot.JCoupPot term with given name,
and Karplus relationship parameters, A, B, C, and phase.
If the file argument is specified, restraints are read from the given
sim is an optional Simulation argument- the current default is used if
it is not specified.