Repository revision
14:4e3b2049a4d3

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

Remove counterions and fragments tool metadata
Miscellaneous
from a library of compounds
openbabel_remIons
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/3.1.1+galaxy2
3.1.1+galaxy2
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/3.1.1+galaxy2 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/3.1.1+galaxy1
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/3.1.1+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/2.4.2.2.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/2.4.2.1.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/2.4.2.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remions/openbabel_remIons/2.4.1.0
openbabel_remIons
Requirements (dependencies defined in the <requirements> tag set)
name version type
openbabel 3.1.1 package
python 3.6 package
Functional tests
name inputs outputs required files
Test-1 infile: 2_mol.smi
name: value
2_mol.smi
value
Test-2 infile: na-sal.inchi
name: value
na-sal.inchi
value
Test-3 infile: multiple.inchi
index: True
name: value
multiple.inchi
value