Repository revision
0:9c5121dd2fd4

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

Constrained conformer generation tool metadata
Miscellaneous
with RDKit
ctb_im_constrained_conf_gen
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_constrained_conf_gen/ctb_im_constrained_conf_gen/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_constrained_conf_gen/ctb_im_constrained_conf_gen/1.1.4+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_constrained_conf_gen/ctb_im_constrained_conf_gen/1.1.3+galaxy0 (this tool)
ctb_im_constrained_conf_gen
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 refmol: ref_mol.sdf
number: 2
infile: XChemReactionMaker1.sdf
attributes: name
XChemReactionMaker1.sdf
ref_mol.sdf
name