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Commit 6bfe2d8b authored by Mark Friedrichs's avatar Mark Friedrichs
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Added missing units for cases when temperature_factor is absent

parent 91eeb088
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wrappers/python/simtk/openmm/app/internal/pdbstructure.py
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...@@ -660,7 +660,7 @@ class Atom(object): ...@@ -660,7 +660,7 @@ class Atom(object):
try: try:
temperature_factor = float(pdb_line[60:66]) * unit.angstroms * unit.angstroms temperature_factor = float(pdb_line[60:66]) * unit.angstroms * unit.angstroms
except: except:
temperature_factor = 0.0 temperature_factor = 0.0 * unit.angstroms * unit.angstroms
self.locations = {} self.locations = {}
loc = Atom.Location(alternate_location_indicator, Vec3(x,y,z) * unit.angstroms, occupancy, temperature_factor, self.residue_name_with_spaces) loc = Atom.Location(alternate_location_indicator, Vec3(x,y,z) * unit.angstroms, occupancy, temperature_factor, self.residue_name_with_spaces)
self.locations[alternate_location_indicator] = loc self.locations[alternate_location_indicator] = loc
......
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