Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_spectrophore_search/openbabel_spectrophore_search/3.1.1+galaxy0 |
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_spectrophore_search/openbabel_spectrophore_search/2.4.2.2.0 (this tool) |
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_spectrophore_search/openbabel_spectrophore_search/2.4.2.1.0 |
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_spectrophore_search/openbabel_spectrophore_search/2.4.2.0 |
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_spectrophore_search/openbabel_spectrophore_search/2.4.1.0 |
openbabel_spectrophore_search |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
openbabel | 2.4.1 | package |
python | 3 | package |
numpy | 1.16.2 | package |
Functional tests |
name | inputs | outputs | required files |
Test-1 |
column: 8 target: CID2244_with_spectrophore.sdf library: lib.tabular |
attributes: name |
CID2244_with_spectrophore.sdf lib.tabular name |