| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/3.1.1+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.2.2.0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.2.1.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.2.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.1.0 |
| openbabel_compound_convert |
| 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 |
infile: CID_2244.sdf oformat|oformat_opts_selector: cml |
attributes: name |
CID_2244.sdf name |
| Test-2 |
infile: CID_2244.sdf oformat|oformat_opts_selector: fs |
attributes: name |
CID_2244.sdf name |
| Test-3 |
infile: CID_2244.sdf oformat|oformat_opts_selector: inchi |
attributes: name |
CID_2244.sdf name |
| Test-4 |
infile: CID_2244.sdf oformat|oformat_opts_selector: pdb |
attributes: name |
CID_2244.sdf name |
| Test-5 |
infile: CID_2244.sdf oformat|oformat_opts_selector: can |
attributes: name |
CID_2244.sdf name |
| Test-6 |
infile: CID_2244.sdf oformat|oformat_opts_selector: sdf |
attributes: name |
CID_2244.sdf name |
| Test-7 |
infile: 2_mol.smi oformat|oformat_opts_selector: pdbqt split: True |
2_mol.smi |