kull-centre / papers Goto Github PK

During handling of the above exception, another exception occurred:

ModuleNotFoundError                       Traceback (most recent call last)
[<ipython-input-2-26b8f94c780a>](https://localhost:8080/#) in <module>
     19 import datetime
     20 import matplotlib
---> 21 from pdbfixer import PDBFixer
     22 from simtk.openmm.app import PDBFile
     23 from Bio.PDB.Polypeptide import index_to_one, one_to_index

[/usr/local/lib/python3.7/site-packages/pdbfixer/__init__.py](https://localhost:8080/#) in <module>
      1 from __future__ import absolute_import
----> 2 from .pdbfixer import PDBFixer
      3 

[/usr/local/lib/python3.7/site-packages/pdbfixer/pdbfixer.py](https://localhost:8080/#) in <module>
     33 __version__ = "1.5"
     34 
---> 35 import simtk.openmm as mm
     36 import simtk.openmm.app as app
     37 import simtk.unit as unit

[/usr/local/lib/python3.7/site-packages/simtk/openmm/__init__.py](https://localhost:8080/#) in <module>
     17         'lib': version.openmm_library_path, 'path': _path}
     18 
---> 19 from simtk.openmm.openmm import *
     20 from simtk.openmm.vec3 import Vec3
     21 from simtk.openmm.mtsintegrator import MTSIntegrator

[/usr/local/lib/python3.7/site-packages/simtk/openmm/openmm.py](https://localhost:8080/#) in <module>
     26                 fp.close()
     27             return _mod
---> 28     _openmm = swig_import_helper()
     29     del swig_import_helper
     30 else:

[/usr/local/lib/python3.7/site-packages/simtk/openmm/openmm.py](https://localhost:8080/#) in swig_import_helper()
     18             fp, pathname, description = imp.find_module('_openmm', [dirname(__file__)])
     19         except ImportError:
---> 20             import _openmm
     21             return _openmm
     22         if fp is not None:

ModuleNotFoundError: No module named '_openmm'

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