| 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 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_distance/mdanalysis_distance/0.20 |
| 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 | 1.0.0 | package |
| Additional information about this tool |
#if $inps.inps == 'one':
python '$__tool_directory__/distance_single.py'
--isegid1 '$inps.segid1'
--iresid1 '$inps.resid1'
--iname1 '$inps.name1'
--isegid2 '$inps.segid2'
--iresid2 '$inps.resid2'
--iname2 '$inps.name2'
--odistance_plot '$distance_plot'
2>&1
#elif $inps.inps == 'multiple':
python '$__tool_directory__/distance_multiple.py'
--list1 '$inps.list1'
--list2 '$inps.list2'
#end if
--itraj '$trajin'
--istr '$strin'
--itrajext '$trajin.ext'
--istrext '$strin.ext'
--output '$output'
$header
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
trajin: test.dcd strin: test.pdb inps|segid1: PRO inps|resid1: 212 inps|name1: OE2 inps|segid2: HET inps|resid2: 3 inps|name2: C1 header: False |
name: value |
test.dcd test.pdb value |
| Test-2 |
trajin: test.xtc strin: test.gro inps|segid1: SYSTEM inps|resid1: 212 inps|name1: OE2 inps|segid2: SYSTEM inps|resid2: 3 inps|name2: C1 header: False |
name: value |
test.xtc test.gro value |
| Test-3 |
trajin: test.xtc strin: test.gro inps|list1: list1.txt inps|list2: list2.txt inps|inps: multiple header: True |
name: value |
test.xtc test.gro list1.txt list2.txt value |