Galaxy |

Repository revision

Revision: 16:e3e536aa2633

Repository 'gmx_makendx'

Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx

Create GROMACS index files tool metadata

Miscellaneous

Name: Create GROMACS index files

Description: using make_ndx

Id: gmx_makendx

Guid: toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2022+galaxy0

Version: 2022+galaxy0

Version command string: None

Display in tool panel: True

Version lineage of this tool (guids ordered most recent to oldest)

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2022+galaxy0 (this tool)

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2021.3+galaxy0

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2020.4+galaxy0

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2020.2+galaxy0

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2019.1.5

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2019.1.4

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_makendx/gmx_makendx/2019.1.3

gmx_makendx

Requirements (dependencies defined in the <requirements> tag set)

Requirements:

name

version

type

gromacs

2022

package

Additional information about this tool

Command:

ln -s '$input_file' ./input.$input_file.ext &&
        (echo '$sel'; echo 'q') | gmx make_ndx -f ./input.$input_file.ext -o ./ndx.ndx &>> verbose.txt &&
        cp ./ndx.ndx '$ndx'

Interpreter: None

Forces a history refresh: False

Functional tests

name

inputs

outputs

required files

Test-1

input_file: str_ions.gro
sel: ! 1 & 13

name: value

str_ions.gro
value