Pydock3
Revision as of 22:40, 7 August 2024 by Cabreraruizdiazj (talk | contribs) (Created page with "Category:SoftwareCategory:Biology {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|pydock3}} |{{#vardefine:url|https://wiki.docking.org/index.php/Pydock3}} <!--CONFI...")
Description
pydock3 is a Python package wrapping the Fortran program UCSF DOCK that provides tools to help standardize and automate the computational methods employed in molecular docking. It is a natural successor to DOCK Blaster, originally published in 2009, and blastermaster, part of the DOCK 3.7 release in 2012.
Environment Modules
Run module spider pydock3 to find out what environment modules are available for this application.
System Variables
- HPC_PYDOCK3_DIR - installation directory
- HPC_PYDOCK3_BIN - executable directory