/fiddle

Primary LanguagePythonBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

fiddle

fiddle is a PDB parser/simulation suite used internally by QB3 Research Institute’s Head-Gordon Group for protein folding problems and entropy calculations. It is currently under intensive development.

Install:

Requirements:

  • git

  • Python >= 3.2

  • g++

  • make

Instructions:

Refer to Python for platform-specific Python installation instructions.

Then pull code from GitHub:

$ git pull git@github.com:q10/fiddle.git

Usage:

Simply run the following command on terminal in the code directory:

$ python runtime.py

Development:

Pull requests are very welcome! Make sure your patches are well tested. Please create a topic branch for every separate change you make.

License:

fiddle is licensed under the the New BSD License and may be freely redistributed under the terms specified in the LICENSE file.