Repository revision
11:5dc2a6cd6da1

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

Remove protonation state tool metadata
Miscellaneous
Remove protonation state
of every atom
openbabel_remove_protonation_state
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/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_remove_protonation_state/openbabel_remove_protonation_state/3.1.1+galaxy0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/2.4.2.2.0 (this tool)
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/2.4.2.1.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/2.4.2.0
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/2.4.1.0
openbabel_remove_protonation_state
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 infile: CID_2244.sdf
 attributes: name
 CID_2244.sdf
name