Fix reading PDBx from filename

openmm / pdbfixer

PDBFixer fixes problems in PDB files

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Fix reading PDBx from filename #221

Closed dww100 closed 3 years ago

dww100 commented 3 years ago

Lines from the file where being passed to the reader rather than the file object - simple change from self._initializeFromPDBx(file.read()) to self._initializeFromPDBx(file) fixes #202.

peastman commented 3 years ago

Looks good, thanks!