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Docking Module for Chemistry with the ReInvented Macromolecular

Project description

crimm-dock

Docking modules for crimm

This module is an extension to the crimm package. Currently it provides functions for FFT Docking of small molecule probes. To build from source, use

pip install crimm-dock

This module uses FFTW3. You will need to have FFTW3F lib in your library path in order to compile the C-Extension The easiest way of installing FFTW is conda install fftw

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