Macs in Chemistry

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Cluster mols

 

cluster_mols is a PyMOL plugin that allows the user to quickly select compounds from a virtual screen to be purchased or synthesized.

900px-Cluster_mols_py_pymol

The most up to date version (recommended) of clustermols is available through BitBucket at: https://bitbucket.org/mpb21/clustermols_py/overview

This plugin has a number of dependencies that are required. And it is currently only supported on Linux and OSX.

Baumgartner, Matthew (2016) IMPROVING RATIONAL DRUG DESIGN BY INCORPORATING NOVEL BIOPHYSICAL INSIGHT. Doctoral Dissertation, University of Pittsburgh.


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