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Repository revision

Revision: 4:a574f6e8b909

Repository 'sucos_docking_scoring'

Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring

Score docked poses using SuCOS tool metadata

Miscellaneous

Name: Score docked poses using SuCOS

Description: - compare shape and feature overlap of docked ligand poses to a reference molecule

Id: sucos_docking_scoring

Guid: toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring/sucos_docking_scoring/0.1.1

Version: 0.1.1

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/bgruening/sucos_docking_scoring/sucos_docking_scoring/2020.03.4+galaxy0

toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring/sucos_docking_scoring/0.1.1 (this tool)

toolshed.g2.bx.psu.edu/repos/bgruening/sucos_docking_scoring/sucos_docking_scoring/0.1

sucos_docking_scoring

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

Requirements:

name

version

type

rdkit

2019.03.2.0

package

Functional tests

name

inputs

outputs

required files

Test-1

input: sucos_inputs.sdf
refmol: sucos_refmol.mol

attributes: name

sucos_inputs.sdf
sucos_refmol.mol
name