Calculate the box parameters using RDKit: for an AutoDock Vina job from a ligand input file (confounding box)
toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina_prepare_box/prepare_box/2021.03.4+galaxy02021.03.4+galaxy0
Metadata
Servers Offering this Tool
UseGalaxy.eu (2021.03.4+galaxy0)This is a guess, we are not currently checking if that is actually present.
Observed Tool Versions
Within GTN tutorials
- 2021.03.4+galaxy0
EDAM Operations
EDAM Topics
Relevant Tutorials
- Computational chemistry / Protein-ligand docking