| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/earlhaminst/smina/smina/1.0 (this tool) |
| smina |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| smina | 2017.11.9 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
search_space|center_y: 90.5 misc|seed: 1000 search_space|size_x: 22 search_space|size_y: 24 search_space|size_z: 28 input|ligand: ligand.pdbqt search_space|center_z: 57.5 output_sect|log: True misc|num_modes: 5 input|receptor: protein.pdbqt search_space|center_x: 11 |
attributes: name attributes: name |
protein.pdbqt ligand.pdbqt name |