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josejimenezluna/pdbqtcrash.py

Created June 22, 2017 09:42
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PDBQT Reader Crash
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pdbqtcrash.py
from htmd.molecule.molecule import Molecule
target = '/shared/jose/databases/bindingdb_val/3IBU/target_0.pdbqt'
mol = Molecule(target)
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