| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/md_converter/md_converter/1.9.3 |
| toolshed.g2.bx.psu.edu/repos/chemteam/md_converter/md_converter/1.9.1 (this tool) |
| md_converter |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| mdtraj | 1.9.1 | package |
| gromacs | 2018.2 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
input|conversion: traj input|output_format: dcd input|input_file: traj.xtc |
attributes: name |
traj.xtc name |
| Test-2 |
input|conversion: traj input|output_format: trr input|input_file: traj.dcd |
attributes: name |
traj.dcd name |
| Test-3 |
input|conversion: str input|output_format: gro input|input_file: str.pdb |
attributes: name |
str.pdb name |
| Test-4 |
input|conversion: str input|output_format: pdb input|input_file: str.gro |
attributes: name |
str.gro name |