Repository revision
0:ad2b25cca758

Repository 'ctb_im_cluster_butina'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_cluster_butina

Butina Cluster tool metadata
Miscellaneous
using RDKit
ctb_im_cluster_butina
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_cluster_butina/ctb_im_cluster_butina/1.1.3+galaxy0
1.1.3+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_cluster_butina/ctb_im_cluster_butina/1.1.4+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_cluster_butina/ctb_im_cluster_butina/1.1.3+galaxy0 (this tool)
ctb_im_cluster_butina
Requirements (dependencies defined in the <requirements> tag set)
name version type
im-pipelines 1.1.3 package
Functional tests
name inputs outputs required files
Test-1 threshold: 0.6
fragment_opts: hac
infile: Kinase_inhibs.sdf
metric_opts: tanimoto
descriptor_opts: rdkit
attributes: name
attributes: name
Kinase_inhibs.sdf
name