Calculate the box parameters using RDKit for an AutoDock Vina job from a ligand or pocket input file (confounding box)

prepare_box

Version Tool Shed Owner Galaxy instances where the tool is available
2021.03.5+galaxy0 toolshed.g2.bx.psu.edu bgruening
2021.03.4+galaxy0 toolshed.g2.bx.psu.edu bgruening
2020.03.4+galaxy0 toolshed.g2.bx.psu.edu bgruening
0.1.1 toolshed.g2.bx.psu.edu bgruening
0.1.0 toolshed.g2.bx.psu.edu bgruening