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Installation

Install from source

$ git clone https://github.com/shirtsgroup/InterMol.git
$ cd InterMol
$ pip install .

Or if you plan on contributing something:

$ pip install --editable .

Dependencies

To use InterMol, the following libraries and software will need to be installed.

Linux, Mac OS X or Windows operating system
We develop mainly on 64-bit Mac and CentOS machines. TravisCI is currently only set up to perform testing on Debian.
Python >= 2.7
Once our unit tests flesh out a bit more, we intend to add support for >=2.7.
NumPy
Numpy is the base package for numerical computing in python.
ParmEd
Cross-program parameter and topology file editor and molecular mechanical simulator engine.