Galaxy |

Repository revision

Revision: 6:b8725fec8c7b

Repository 'sucos_clustering'

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

Cluster ligands using SuCOS tool metadata

Miscellaneous

Name: Cluster ligands using SuCOS

Description: based on the overlap of 3D features

Id: sucos_clustering

Guid: toolshed.g2.bx.psu.edu/repos/bgruening/sucos_clustering/sucos_clustering/2020.03.4+galaxy0

Version: 2020.03.4+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/bgruening/sucos_clustering/sucos_clustering/2020.03.4+galaxy0 (this tool)

toolshed.g2.bx.psu.edu/repos/bgruening/sucos_clustering/sucos_clustering/0.1.1

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

sucos_clustering

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

Requirements:

name

version

type

rdkit

2020.03.4

package

scipy

1.3.0

package

Additional information about this tool

Command:

python '$__tool_directory__/sucos_cluster.py'
            -i '$input'
            -t $threshold

Interpreter: None

Forces a history refresh: False

Functional tests

name

inputs

outputs

required files

Test-1

input: sucos_cluster.sdf

sucos_cluster.sdf