openmm / pdbfixer

PDBFixer fixes problems in PDB files
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wrong when install under CENTOS7 #181

Open guyujun opened 5 years ago

guyujun commented 5 years ago

error when install pdbfixer1.5 on centos7: removing '/usr/lib/python2.7/site-packages/pdbfixer-1.5-py2.7.egg' (and everything under it) creating /usr/lib/python2.7/site-packages/pdbfixer-1.5-py2.7.egg Extracting pdbfixer-1.5-py2.7.egg to /usr/lib/python2.7/site-packages Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes Sorry: TypeError: compile() expected string without null bytes pdbfixer 1.5 is already the active version in easy-install.pth

pdbfixer is already can active by comline. but it can not read PDB.

return another error..: Traceback (most recent call last): File "./repair.py", line 107, in repair(pdbfile) File "./repair.py", line 83, in repair fixer = PDBFixer(filename=pdbfile) File "/usr/lib/python2.7/site-packages/pdbfixer-1.5-py2.7.egg/pdbfixer/pdbfixer.py", line 277, in init templatePdb = app.PDBFile(os.path.join(templatesPath, file)) File "/usr/lib64/python2.7/site-packages/simtk/openmm/app/pdbfile.py", line 160, in init self.positions = self._positions[0] IndexError: list index out of range

please help.

peastman commented 5 years ago

How exactly did you install it? Did you previously have another version installed? It looks like it thinks you have two copies installed by two different means.

guyujun commented 5 years ago

thank you, I install it by conda and it works well~