| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/21.10+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/21.7+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/21.3+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/21.0+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/20.15+galaxy1 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/20.15+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/19.11 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/19.0.1 |
| toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/19.0 |
| ambertools_acpype |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| ambertools | 21.10 | package |
| acpype | 2021.02.05.22.15 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
input1: JZ4.mol2 charge_method: bcc save_gro: True |
name: value name: value |
JZ4.mol2 value |
| Test-2 |
input1: LigA_output.mol2 charge_method: user save_gro: False |
name: value |
LigA_output.mol2 value |