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Commit 6c6161cb authored by Peter Eastman's avatar Peter Eastman
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Fixed bug in recognizing incomplete TER records in PDB files

parent 95093334
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
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...@@ -133,7 +133,7 @@ class PdbStructure(object): ...@@ -133,7 +133,7 @@ class PdbStructure(object):
self._current_model._finalize() self._current_model._finalize()
if not self.load_all_models: if not self.load_all_models:
break break
elif (pdb_line.find("TER ") == 0): elif (pdb_line.find("TER") == 0 and pdb_line.split()[0] == "TER"):
self._current_model._current_chain._add_ter_record() self._current_model._current_chain._add_ter_record()
elif (pdb_line.find("CRYST1") == 0): elif (pdb_line.find("CRYST1") == 0):
self._unit_cell_dimensions = (float(pdb_line[6:15]), float(pdb_line[15:24]), float(pdb_line[24:33]))*unit.angstroms self._unit_cell_dimensions = (float(pdb_line[6:15]), float(pdb_line[15:24]), float(pdb_line[24:33]))*unit.angstroms
......
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