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- analyze(potList)
- Perform analysis of DihedralPot terms and return nicely formatted summary
- create_DihedralPot(name='dihedral', restraints=None, nef=None, nefRestraintName=None, allowBadRestraints=False, selection='not PSEUDO', useSegid=True, verbose=False)
- 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.
If specified, the nef argument should be an object returned by
nefTools.readNEF. If there is more than one dihedral restraint table
specified in the NEF record, the desired name must be specified in the
nefRestraintName argument.
- makeTable(term)
- given a DihedralPot, generate the associated assignment
table. Return this as a string.
If the argument is a list-like object, makeTable will be called
recursively on each element.
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