| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_obgrep/openbabel_obgrep/3.1.1+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_obgrep/openbabel_obgrep/2.4.2.2.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_obgrep/openbabel_obgrep/2.4.2.1.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_obgrep/openbabel_obgrep/2.4.2.0 |
| toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_obgrep/openbabel_obgrep/2.4.1.0 |
| openbabel_obgrep |
| 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 |
#if $input_type.inp == 'single':
obgrep
$invert_matches
#if $n_times:
-t $n_times
#end if
$only_name
$full_match
$number_of_matches
-i '${infile.ext}'
'${input_type.smarts_pattern}'
'${infile}'
> '${outfile}'
#else if $input_type.inp == 'multi':
python '$__tool_directory__/multi_obgrep.py'
-i $infile
--iformat ${infile.ext}
-q '${input_type.query}'
-o '${outfile}'
$invert_matches
--n-times $n_times
$only_name
$full_match
$number_of_matches
--processors "\${GALAXY_SLOTS:-12}"
#end if
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
infile: 8_mol.smi input_type|smarts_pattern: CO input_type|inp: single invert_matches: False only_name: False full_match: False number_of_matches: False |
name: value |
8_mol.smi value |
| Test-2 |
infile: 2_mol.smi input_type|query: pattern.smarts input_type|inp: multi |
name: value |
2_mol.smi pattern.smarts value |