Repository revision
9:a446ea7e2bc1

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

ChEMBL structure pipeline tool metadata
Miscellaneous
for curation and standardizing of molecular structures
chembl_structure_pipeline
toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl_structure_pipeline/1.0.0+galaxy0
1.0.0+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/chembl/chembl_structure_pipeline/1.0.0+galaxy0 (this tool)
chembl_structure_pipeline
Requirements (dependencies defined in the <requirements> tag set)
name version type
chembl_structure_pipeline 1.0.0 package
Functional tests
name inputs outputs required files
Test-1 input: o_molblock.mol
standardize: True
name: value
o_molblock.mol
value
Test-2 input: o_molblock.mol
get_parent: True
name: value
o_molblock.mol
value
Test-3 input: o_molblock.mol
check: True
name: value
o_molblock.mol
value
Test-4 input: 10mol.sdf
standardize: True
get_parent: True
check: True
name: value
10mol.sdf
value