Remove protonation state tool metadata

Miscellaneous

Name: Remove protonation state

Description: of every atom

Id: openbabel_remove_protonation_state

Guid: toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/3.1.1+galaxy2

Version: 3.1.1+galaxy2

Version command string: None

Display in tool panel: 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+galaxy2 (this tool)

toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state/openbabel_remove_protonation_state/3.1.1+galaxy1

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)

Requirements:

name

version

type

openbabel

3.1.1

package

python

3.6

package

Additional information about this tool

Command:

python '$__tool_directory__/remove_protonation_state.py'
        -i '$infile'
        -o '$outfile'
        --iformat '${infile.ext}'

Interpreter: None

Forces a history refresh: 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