| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance/mdanalysis_distance/1.0.0+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance/mdanalysis_distance/0.20 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance/mdanalysis_distance/0.19 |
| toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance/mdanalysis_distance/0.18 |
| mdanalysis_distance |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| mdanalysis | 0.20.1 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
inps|resid2: 3 inps|name2: C1 inps|name1: OE2 inps|resid1: 212 inps|segid1: PRO strin: test.pdb inps|segid2: HET trajin: test.dcd header: False |
attributes: name |
test.dcd test.pdb name |
| Test-2 |
inps|resid2: 3 inps|name2: C1 inps|name1: OE2 inps|resid1: 212 inps|segid1: SYSTEM strin: test.gro inps|segid2: SYSTEM trajin: test.xtc header: False |
attributes: name |
test.xtc test.gro name |
| Test-3 |
inps|list1: list1.txt inps|list2: list2.txt strin: test.gro trajin: test.xtc header: True inps|inps: multiple |
attributes: name |
test.xtc test.gro list1.txt list2.txt name |