Installation

Install with pip (coming soon!)

InterMol will be added to PyPI as soon as we get our first stable release up and running.

Install from source

$ git clone https://github.com/shirtsgroup/InterMol.git
$ cd InterMol
$ python setup.py install

Or if you plan on contributing something:

$ python setup.py develop

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 >=2.6.

NumPy >= 1.6.0

Numpy is the base package for numerical computing in python.

simtk.unit >= 0.1

Python unit classes for dimensional analysis and unit conversion.