| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/rdock_rbdock/rdock_rbdock/0.1.1 |
| toolshed.g2.bx.psu.edu/repos/bgruening/rdock_rbdock/rdock_rbdock/0.1 (this tool) |
| rdock_rbdock |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| rdock | 2013.1-0 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
name: False active_site: receptor.as top: 1 num: 3 receptor: receptor.mol2 ligands: ligands_names.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_names.sdf name |
| Test-2 |
name: True active_site: receptor.as top: 1 num: 3 receptor: receptor.mol2 ligands: ligands_nonames.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_nonames.sdf name |
| Test-3 |
num: 1 name: False nscore: 1 active_site: receptor.as score: 10 receptor: receptor.mol2 ligands: ligands_names.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_names.sdf name |