| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2022+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2021.3+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2020.4+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2020.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2019.1.5 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2019.1.4 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2019.1.3 |
| gmx_editconf |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| gromacs | 2022 | package |
| Additional information about this tool |
ln -s '$input_file' ./input.$input_file.ext &&
gmx editconf
-f ./input.$input_file.ext
-o ./output.${output_format}
#if $box.config == "true":
-d $box.dim
-bt $box.type
#end if
&>> verbose.txt &&
cp ./output.${output_format} '$output'
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
input_file: processed.gro output_format: gro box|dim: 1.0 box|type: cubic box|config: true |
name: value |
processed.gro value |
| Test-2 |
input_file: newbox.gro output_format: pdb box|config: false |
name: value |
newbox.gro value |