Repository revision
0:b760f006cb6b

Repository 'ctb_im_o3dalign'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_o3dalign

Open 3D Align tool metadata
Miscellaneous
with RDKit
ctb_im_o3dalign
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_o3dalign/ctb_im_o3dalign/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_o3dalign/ctb_im_o3dalign/1.1.4+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/ctb_im_o3dalign/ctb_im_o3dalign/1.1.3+galaxy0 (this tool)
ctb_im_o3dalign
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 molquery: pyrimethamine.mol
threshold: 30
infile: Kinase_inhibs.sdf
number: 2
attributes: name
attributes: name
Kinase_inhibs.sdf
pyrimethamine.mol
name
Test-2 molquery: pyrimethamine.mol
threshold: 30
infile: Kinase_inhibs.sdf
crippen: True
number: 2
attributes: name
attributes: name
Kinase_inhibs.sdf
pyrimethamine.mol
name