Python wrapper for ICM docking command-line workflows

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IcmDocking

Author: Jordy Homing Lam Copyright (C) 2024 Jordy Homing Lam, jhmlam, JHML. Ho Ming LAM. All rights reserved.

Acknowledgement

  • We would like to thank Ruben Abagyan, Eugene Raush and Maxim Totrov for writing the very powerful ICM program in Molsoft LLC.
  • We would like to thank Vsevolod Katritch for purchasing a license from Molsoft and teaching us how to use the program correctly.
  • JHML would like to thank Tessa Ferrari for testing this out together with me when we started on one of the docking projects that went to black hole.

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  • Requires: Python >=3.10

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