| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/rdock_rbdock/rdock_rbdock/0.1.4 |
| toolshed.g2.bx.psu.edu/repos/bgruening/rdock_rbdock/rdock_rbdock/0.1.3 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/rdock_rbdock/rdock_rbdock/0.1.2 |
| 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 |
| 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 num: 3 receptor: receptor.mol2 filter|top: 1 filter|filter_select: filter seed: 3 ligands: broken_ligand.sdf |
receptor.mol2 receptor.as broken_ligand.sdf |
|
| Test-2 |
name: False active_site: receptor.as num: 3 receptor: receptor.mol2 filter|top: 1 filter|filter_select: filter seed: 3 ligands: ligands_names.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_names.sdf name |
| Test-3 |
name: True active_site: receptor.as num: 3 receptor: receptor.mol2 filter|top: 1 filter|filter_select: filter seed: 3 ligands: ligands_nonames.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_nonames.sdf name |
| Test-4 |
num: 3 name: True active_site: receptor.as seed: 3 receptor: receptor.mol2 filter|filter_select: no_filter ligands: ligands_nonames.sdf |
attributes: name |
receptor.mol2 receptor.as ligands_nonames.sdf name |
| Test-5 |
num: 1 name: False active_site: receptor.as seed: 3 receptor: receptor.mol2 filter|filter_select: filter filter|score: 10 ligands: ligands_names.sdf filter|nscore: 1 |
attributes: name |
receptor.mol2 receptor.as ligands_names.sdf name |