pydock3¶

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.

Environment Variables¶

HPC_PYDOCK3_DIR - installation directory
HPC_PYDOCK3_BIN - executable directory

Categories¶

biology