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Electrostatics / apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation
http://www.poissonboltzmann.org/
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extension .py.in import fails #519

Closed mjag1898 closed 5 years ago

mjag1898 commented 5 years ago

my python installation (2.7 through miniconda) doesn't recognize .py.in files during import. For example, import pdb2pqr fails to find pdb2pqr.py.in.

Do I need to switch python versions, or is there another workaround?

kozlac commented 5 years ago

Hello @mjag1898, It sounds that you have the source files for pdb2pqr. In order to install and run PDB2PQR please follow these instructions. Once you configure and run the scons and scons install you should have a pdb2pqr.py file in the selected installation folder.

If you need further help, please let me know. Thanks!!