"platforms/cuda/vscode:/vscode.git/clone" did not exist on "484472ca687481bbdae47b0604f0d76de827cc44"
Commit a6524f94 authored by peastman's avatar peastman
Browse files

Merge pull request #311 from cxhernandez/master

Forgotten zinc
parents c7a61558 baa7a8f6
...@@ -119,6 +119,8 @@ class AmberPrmtopFile(object): ...@@ -119,6 +119,8 @@ class AmberPrmtopFile(object):
element = elem.sodium element = elem.sodium
elif upper.startswith('MG'): elif upper.startswith('MG'):
element = elem.magnesium element = elem.magnesium
elif upper.startswith('ZN'):
element = elem.zinc
else: else:
try: try:
element = elem.get_by_symbol(atomName[0]) element = elem.get_by_symbol(atomName[0])
......
...@@ -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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