Repository revision
1:8ac4f037fdde

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

Standardize SD-files tool metadata
Miscellaneous
using RDKit
ctb_im_standardize
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_standardize/ctb_im_standardize/1.1.4+galaxy0
1.1.4+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_standardize/ctb_im_standardize/1.1.4+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_standardize/ctb_im_standardize/1.1.3+galaxy0
ctb_im_standardize
Requirements (dependencies defined in the <requirements> tag set)
name version type
im-pipelines 1.1.4 package
Functional tests
name inputs outputs required files
Test-1 fragment_opts: --fragment-method hac
infile: Kinase_inhibs.sdf
attributes: name
Kinase_inhibs.sdf
name
Test-2 fragment_opts: --fragment-method mw
infile: Kinase_inhibs.sdf
neutralize: True
attributes: name
Kinase_inhibs.sdf
name