This CafePy is a tool for analyzing CafeMol outputs. CafeMol is one of the greatest Molecluar Dynamics simulation Software. The software provides a large time scale and a big structure scale simulation by using Coarse-Grained methods.
CafePy provides ..
- Reading some files [PDB, DCD, NINFO]
- calcurating Center of Mass from [PDB, DCD]
- python3 >= 3.5.1
- Numpy
- Scipy
- Matplotlib
Install virtualenv. (RECOMMEND:for protecting your Home environment.)
activate virtualenv
build & install
Command Line Usage
Script Usage Samples
- Read dcd file.
- Read Ninfo file.
You can get a lot of information from below.
- Python codes
- C++ codes ( faster than python codes )
cafepy
- CafeMol Project.
genindex
modindex
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