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Commit fde182c4 authored by Carlos Hernández's avatar Carlos Hernández
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Update pdbfile.py 

Added catch for zinc.
parent c7a61558
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wrappers/python/simtk/openmm/app/pdbfile.py
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...@@ -116,6 +116,8 @@ class PDBFile(object): ...@@ -116,6 +116,8 @@ class PDBFile(object):
element = elem.lithium element = elem.lithium
elif upper.startswith('K'): elif upper.startswith('K'):
element = elem.potassium element = elem.potassium
elif upper.startswith('ZN'):
element = elem.zinc
elif( len( residue ) == 1 and upper.startswith('CA') ): elif( len( residue ) == 1 and upper.startswith('CA') ):
element = elem.calcium element = elem.calcium
else: else:
......
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