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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