| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/anmoljh/padel_descriptor_calculation/padel_descriptor/1.0 (this tool) |
| padel_descriptor |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| padeldescriptor | 1.0 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
detectaromaticity: -detectaromaticity coordinate2d: -2d input: test.sdf retain3d: -retain3d coordinate3d: -3d maxruntime: 300000 retainorder: -retainorder standardizenitro: -standardizenitro fingerprint: -fingerprints convert3d: removesalt: -removesalt maxjob: 8 |
attributes: name attributes: name |
test.sdf name |