Repository revision
11:c4abd2c7d5f6

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

Substructure Search tool metadata
Miscellaneous
of fingerprint data sets
openbabel_subsearch
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/2.4.2.2.0
2.4.2.2.0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/3.1.1+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/2.4.2.2.0 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/2.4.2.1.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/2.4.2.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_subsearch/openbabel_subsearch/2.4.1.0
openbabel_subsearch
Requirements (dependencies defined in the <requirements> tag set)
name version type
openbabel 2.4.1 package
python 3 package
Functional tests
name inputs outputs required files
Test-1 fastsearch: ob_convert_on_CID2244_obfs.txt
query: CID_2244.sdf
oformat: names
attributes: name
CID_2244.sdf
ob_convert_on_CID2244_obfs.txt
name