Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/21.0+galaxy0 |
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/20.15+galaxy0 (this tool) |
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/19.11 |
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/19.0.1 |
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/19.0 |
ambertools_antechamber |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
ambertools | 20.15 | package |
Additional information about this tool |
antechamber -i '$input1' -o '$output1' -fi '$input1.ext' -fo '$selected_output_format' -c '$allparams.c' -pf '$extraparams.pf' #if '$extraparams.usenc' -nc '$allparams.nc' #end if -at '$allparams.at' -j '$allparams.j' -rn '$allparams.resname' -m '$allparams.m'
Functional tests |
name | inputs | outputs | required files |
Test-1 |
input1: LigA.mol2 allparams|nc: -2 allparams|c: bcc allparams|at: gaff2 allparams|j: 5 |
name: value |
LigA.mol2 value |
Test-2 |
input1: LigA.pdb selected_output_format: pdb allparams|nc: -2 allparams|c: bcc allparams|at: gaff2 allparams|j: 5 |
name: value |
LigA.pdb value |