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- delAndCreateCenterAnglePots(instanceName, centerNames=[], centerSels=[])
- Given a list of atoms, delete XPLOR angle terms and add bond angle
energy terms for all angles for which the atoms are the center atom,
determined from the bonding pattern. The atoms can be specified as a list
of atom names or atom selections using the centerNames or centerSels arguments, respectively.
- delAnglesFromCenters(centerNames=[], centerSels=[])
- Given a list of atoms, find all XPLOR bond angles from the bonding
pattern, and delete them. The atoms can be specified as a list of atom
names or atom selections using the centerNames or centerSels arguments,
respectively.
- deleteAngles(angles)
- Given a list of atom triples, delete the associated bond angles
from the topology.
Side effect: all topology entries are erased.
- findAngles(centerAtom)
- Find all bond angles with the specified central atom.
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