Miscellaneous |
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}'
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 |