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 |