ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
src
amberio
PrmtopLoader
src.amberio.PrmtopLoader Member List
This is the complete list of members for
src.amberio.PrmtopLoader
, including all inherited members.
__init__
(self, inFilename)
src.amberio.PrmtopLoader
get14Interactions
(self)
src.amberio.PrmtopLoader
getAngles
(self)
src.amberio.PrmtopLoader
getAtomName
(self, iAtom)
src.amberio.PrmtopLoader
getAtomNames
(self)
src.amberio.PrmtopLoader
getAtomType
(self, iAtom)
src.amberio.PrmtopLoader
getAtomTypes
(self)
src.amberio.PrmtopLoader
getBondsNoH
(self)
src.amberio.PrmtopLoader
getBondsWithH
(self)
src.amberio.PrmtopLoader
getBoxBetaAndDimensions
(self)
src.amberio.PrmtopLoader
getCharges
(self)
src.amberio.PrmtopLoader
getDihedrals
(self)
src.amberio.PrmtopLoader
getExcludedAtoms
(self)
src.amberio.PrmtopLoader
getGBParms
(self, symbls=None)
src.amberio.PrmtopLoader
getIfBox
(self)
src.amberio.PrmtopLoader
getIfCap
(self)
src.amberio.PrmtopLoader
getIfPert
(self)
src.amberio.PrmtopLoader
getMasses
(self)
src.amberio.PrmtopLoader
getNonbondTerms
(self)
src.amberio.PrmtopLoader
getNumAtoms
(self)
src.amberio.PrmtopLoader
getNumTypes
(self)
src.amberio.PrmtopLoader
getResidueLabel
(self, iAtom=None, iRes=None)
src.amberio.PrmtopLoader
getResidueNumber
(self, iAtom)
src.amberio.PrmtopLoader
residuePointerDict
src.amberio.PrmtopLoader
Generated on Thu Jul 9 2020 11:51:12 for ForceBalance API by
1.8.13