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Repository revision

Revision: 1:5b4ae74b7f0b

Repository 'acpype_amber2gromacs'

Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/acpype_amber2gromacs

Convert Amber topology and coordinate files to GROMACS format tool metadata

Miscellaneous

Name: Convert Amber topology and coordinate files to GROMACS format

Description: using acpype

Id: acpype_Amber2Gromacs

Guid: toolshed.g2.bx.psu.edu/repos/chemteam/acpype_amber2gromacs/acpype_Amber2Gromacs/21.10+galaxy0

Version: 21.10+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/acpype_amber2gromacs/acpype_Amber2Gromacs/21.10+galaxy0 (this tool)

acpype_Amber2Gromacs

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

Requirements:

name

version

type

ambertools

21.10

package

acpype

2021.02.05.22.15

package

Additional information about this tool

Command:

ln -s '$input1' ./input1.${input1.ext} &&
        ln -s '$input2' ./input2.${input2.ext} &&
        acpype -p './input1.${input1.ext}' -x './input2.${input2.ext}'

Interpreter: None

Forces a history refresh: False

Functional tests

name

inputs

outputs

required files

Test-1

input1: cid1.prmtop
input2: cid1.inpcrd

name: value
name: value

cid1.prmtop
cid1.inpcrd
value