/psfgen

NAMD's psfgen + Python improvements

Primary LanguageCOtherNOASSERTION

psfgen

Psfgen with a Python interface!

Installation

To build and install, you'll need a C compiler:

python setup.py install

License

This software is classified as a "derivative work" of the original psfgen code. It uses the main psfgen code and a swig interface file that are the work of the original developers (Justin Gullingsrud and Jim Phillips). I have made it installable, and am fixing warnings in the C code. I will probably rewrite the Python interface at some point (this is early).

psfgen is licensed by the University of Illinois' Non-Exclusive, Non-Commercial use license.

"This software includes code developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign."