Repository revision
0:e3c4312457b6

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

Reaction maker tool metadata
Miscellaneous
using RDKit
ctb_im_rxn_maker
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_rxn_maker/ctb_im_rxn_maker/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_rxn_maker/ctb_im_rxn_maker/1.1.4+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_rxn_maker/ctb_im_rxn_maker/1.1.3+galaxy0 (this tool)
ctb_im_rxn_maker
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 reagent_opts: Sulfonamide
infile: sulfonyl_chloride.sdf
reagent_file: sdf-aliphatic-primary-amines-175.sdf
attributes: name
attributes: name
sulfonyl_chloride.sdf
sdf-aliphatic-primary-amines-175.sdf
name