Repository revision

Revision: 4:f4230f116196

Repository 'ambertools_acpype'

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

Generate MD topologies for small molecules tool metadata

Miscellaneous

Name: Generate MD topologies for small molecules

Description: using acpype

Id: ambertools_acpype

Guid: toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/19.11

Version: 19.11

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/ambertools_acpype/ambertools_acpype/20.15+galaxy0

toolshed.g2.bx.psu.edu/repos/chemteam/ambertools_acpype/ambertools_acpype/19.11 (this tool)

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)

Requirements:

name

version

type

ambertools

19.11

package

acpype

2019.10.05.12.26

package

Functional tests

name

inputs

outputs

required files

Test-1

input1: JZ4.mol2
save_gro: True

attributes: name
attributes: name

JZ4.mol2
name