Repository revision
14:e376ba0fcde0

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
of every atom
openbabel_remove_protonation_state
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/3.1.1+galaxy1
3.1.1+galaxy1
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+galaxy1 (this tool)
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
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 3.1.1 package
python 3.6 package
Additional information about this tool
python '$__tool_directory__/remove_protonation_state.py'
        -i '$infile'
        -o '$outfile'
        --iformat '${infile.ext}'

    
None
False
Functional tests
name inputs outputs required files
Test-1 infile: CID_2244.sdf
name: value
CID_2244.sdf
value
Test-2 infile: na-sal.inchi
name: value
na-sal.inchi
value