Repository revision

Revision: 3:554f60da9c8f

Repository 'mdanalysis_dihedral'

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

Dihedral Analysis tool metadata

Miscellaneous

Name: Dihedral Analysis

Description: Time series of dihedrals

Id: mdanalysis_dihedral

Guid: toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_dihedral/mdanalysis_dihedral/0.19

Version: 0.19

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/mdanalysis_dihedral/mdanalysis_dihedral/0.20

toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_dihedral/mdanalysis_dihedral/0.19 (this tool)

toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_dihedral/mdanalysis_dihedral/0.18

mdanalysis_dihedral

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

Requirements:

name

version

type

mdanalysis

0.19.2

package

Functional tests

name

inputs

outputs

required files

Test-1

name1: OE2
segid2: HET
segid3: HET
segid1: PRO
pdbin: test.pdb
segid4: HET
resid4: 3
name4: C3
resid1: 212
name3: C2
resid3: 3
resid2: 3
name2: C1
dcdin: test.dcd

attributes: name

test.dcd
test.pdb
name