Repository revision
11:c6e895c6bb75

Repository 'ambertools_antechamber'
hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber

AnteChamber tool metadata
Miscellaneous
AnteChamber
- Amber's molecular input file processor
ambertools_antechamber
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/21.7+galaxy0
21.7+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/21.10+galaxy0
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/21.7+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_antechamber/ambertools_antechamber/21.3+galaxy0
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
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 21.7 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'
        
  
None
False
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