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Welcome to CafePy's documentation!

cafepy(Python3 scripts: Under Development)

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]

Requirements

  • python3 >= 3.5.1
  • Numpy
  • Scipy
  • Matplotlib

How to get

RECOMMEND

Install virtualenv. (RECOMMEND:for protecting your Home environment.)

activate virtualenv

Set Up

build & install

Documentation

Usage

Command Line Usage

Script Usage Samples

  • Read dcd file.
  • Read Ninfo file.

Other softwares for Analyzing CafeMol Outputs.

You can get a lot of information from below.

Other softwares for Analyzing Molecular Dynamics.

Code Documentation.

cafepy

References

Indices and tables

  • genindex
  • modindex
  • search

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These scripts are for analyzing CafeMol outputs.

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