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pdbfixer
Commit 9fee6f8c by Peter Eastman
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Bug fix

parent 57944c81
Showing with 1 additions and 1 deletions
pdbfixer.py
...@@ -380,4 +380,4 @@ if __name__=='__main__': ...@@ -380,4 +380,4 @@ if __name__=='__main__':
fixer.replaceNonstandardResidues(fixer.findNonstandardResidues()) fixer.replaceNonstandardResidues(fixer.findNonstandardResidues())
missingAtoms, missingTerminals = fixer.findMissingAtoms() missingAtoms, missingTerminals = fixer.findMissingAtoms()
fixer.addMissingAtoms(missingAtoms, missingTerminals) fixer.addMissingAtoms(missingAtoms, missingTerminals)
app.PDBFile.writeFile(fixer.processedTopology, fixer.processedPositions, open('output.pdb', 'w')) app.PDBFile.writeFile(fixer.topology, fixer.positions, open('output.pdb', 'w'))
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