| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina_prepare_box/prepare_box/2020.03.4+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina_prepare_box/prepare_box/0.1.1 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina_prepare_box/prepare_box/0.1.0 |
| prepare_box |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| rdkit | 2019.03.1 | package |
| numpy | 1.16.2 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
bufy: 2 bufx: 1 bufz: 3 ligand: NUDT5A-x0114_2.mol |
attributes: name |
NUDT5A-x0114_2.mol name |
| Test-2 |
bufy: 2 bufx: 1 bufz: 3 ligand: NUDT5A-x0114_2.sdf exh: 10 seed_value: 1 |
attributes: name |
NUDT5A-x0114_2.sdf name |
| Test-3 |
bufy: 2 bufx: 1 bufz: 3 ligand: NUDT5A-x0114_2.mol2 |
attributes: name |
NUDT5A-x0114_2.mol2 name |
| Test-4 |
bufy: 2 bufx: 1 bufz: 3 ligand: NUDT5A-x0114_2.pdb exh: 10 seed_value: 1 |
attributes: name |
NUDT5A-x0114_2.pdb name |