Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/bgruening/prepare_ligands_for_docking/prepare_ligands_for_docking/3.1.1+galaxy0 |
toolshed.g2.bx.psu.edu/repos/bgruening/prepare_ligands_for_docking/prepare_ligands_for_docking/2.4.2.2.0 (this tool) |
toolshed.g2.bx.psu.edu/repos/bgruening/prepare_ligands_for_docking/prepare_ligands_for_docking/2.4.2.1.0 |
toolshed.g2.bx.psu.edu/repos/bgruening/prepare_ligands_for_docking/prepare_ligands_for_docking/2.4.2.0 |
prepare_ligands_for_docking |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
openbabel | 2.4.1 | package |
python | 3 | package |
Functional tests |
name | inputs | outputs | required files |
Test-1 |
oformat: pdbqt ligands: ob_prepare_ligands.sdf ph_value: 7.4 |
ob_prepare_ligands.sdf |
|
Test-2 |
oformat: mol2 ligands: ob_prepare_ligands.sdf ph_value: 7.4 |
ob_prepare_ligands.sdf |
|
Test-3 |
oformat: mol ligands: ob_prepare_ligands.sdf ph_value: 7.4 |
ob_prepare_ligands.sdf |
|
Test-4 |
oformat: pdb ligands: ob_prepare_ligands.sdf ph_value: 7.4 |
ob_prepare_ligands.sdf |