| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/1.2.3+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/1.1.2+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/0.3.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/0.2.1 |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/0.2.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/0.1.0 |
| docking |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| autodock-vina | 1.1.2 | package |
| openbabel | 3.1.1 | package |
| parallel | 20200722 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
config_params|box: box.txt receptor: protein.pdbqt ligands: input_ligands.sdf |
protein.pdbqt input_ligands.sdf box.txt |
|
| Test-2 |
config_params|box: box.txt receptor: protein.pdbqt ligands: input_ligand.pdbqt |
protein.pdbqt input_ligand.pdbqt box.txt |
|
| Test-3 |
config_params|exh: 10 config_params|seed|seed_value: 8 config_params|seed|seed: True config_params|config_params: vals receptor: protein.pdbqt config_params|size_z: 15.521999999999991 config_params|size_y: 10.205999999999996 config_params|size_x: 18.768 config_params|center_y: -43.608000000000004 config_params|center_x: 36.454 config_params|center_z: 75.176 ligands: input_ligand.pdbqt |
protein.pdbqt input_ligand.pdbqt |