Tools for configuring and analyzing dihedralPot.DihedralPot terms.
- perform analysis of NOEPot terms and return nicely formatted summary
- create_DihedralPot(name='dihedral', restraints=None, allowBadRestraints=False, selection='not PSEUDO')
- The restraints argument is a string or name of a file containing
dihedral restraint assignment statements.
If allowBadRestraints is True, restraints which are invalid to not cause
the program to throw an exception.
The selection argument can be used to apply these restraint to a specific
subset of atoms, possibly in a simulation.Simulation different
than the current Simulation.
FIX: add NEF support.