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Module: base FindHBond/base.py

Hydrogen bond detection based on criteria in "Three-dimensional hydrogen-bond geometry and probability information from a crystal survey", J. Computer-Aided Molecular Design, 10 (1996), 607-622

Imported modules   
from CGLutil.AdaptiveTree import AdaptiveTree
from ChemGroup import findGroup, H, N, C, O, R
from acceptorGeom import accSynAnti, accPhiPsi, accThetaTau, accGeneric
from chimera import Element, Element_bondLength, replyobj
from chimera.idatm import typeInfo, geometry, substituents, tetrahedral, planar, linear, single
from commonGeom import GeometryError
import copy
from donorGeom import donThetaTau, donUpsilonTau, donGeneric, donWater
from hydpos import hydPositions
from math import pi
from miscFind import *
from types import TupleType, StringType, IntType, FloatType
Functions   
findHBonds
  findHBonds 
findHBonds (
        models,
        intermodel=1,
        intramodel=1,
        donors=None,
        acceptors=None,
        distSlop=0.0,
        angleSlop=0.0,
        interSubModels=0,
        )

Exceptions   
RuntimeError, "Duplicate acceptor type match for %s: %s and %s" %(accAtom.oslIdent(), str(stdAcceptors [ accAtom ] ), str( groupKey ) )
RuntimeError, "Duplicate donor type match for %s: %s and %s" %(donorAtom.oslIdent(), str(stdDonors [ donorAtom ] ), str( groupKey ) )

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