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Commit c767ed1a authored by peastman's avatar peastman
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Fixed problems with POPC and POPE PDB files

parent 60b840e6
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wrappers/python/simtk/openmm/app/data/POPC.pdb
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wrappers/python/simtk/openmm/app/data/POPE.pdb
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wrappers/python/simtk/openmm/app/topology.py
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...@@ -334,8 +334,6 @@ class Topology(object): ...@@ -334,8 +334,6 @@ class Topology(object):
toAtom = bond[1] toAtom = bond[1]
if fromAtom in atomMaps[fromResidue] and toAtom in atomMaps[toResidue]: if fromAtom in atomMaps[fromResidue] and toAtom in atomMaps[toResidue]:
self.addBond(atomMaps[fromResidue][fromAtom], atomMaps[toResidue][toAtom]) self.addBond(atomMaps[fromResidue][fromAtom], atomMaps[toResidue][toAtom])
elif name == 'POP':
print(fromAtom, toAtom)
def createDisulfideBonds(self, positions): def createDisulfideBonds(self, positions):
"""Identify disulfide bonds based on proximity and add them to the """Identify disulfide bonds based on proximity and add them to the
......
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