rxcclib

What is it?

rxcclib is a code package that defines molecules, MM functions, and methods for file parsing. It is the fundamental library for our other programs such as Parmhess, Tsubasa, and Katachi.

Dependencies

rxcclib requires following packages.

• Python3 (Anaconda is strongly recommended)
• numpy (Included in Anaconda)

Install

1. Clone this repository by git clone https://github.com/ruixingw/rxcclib.git.

2. a. Move rxcclib directory to your Python install's site-packages directory. If you use Anaconda, it is like anaconda/lib/python3.5/site-packages.

   b. Or, You can move rxcclib to your own directory, and set $PYTHONPATH environment. For example, if rxcclib is put at /home/user/mypythonpath/rxcclib, then export PYTHONPATH=/home/user/mypythonpath(bash) or setenv PYTHONPATH "/home/user/mypythonpath"(C shell).