Mercurial > repos > bgruening > openbabel_obgrep
diff ob_grep.xml @ 14:985ab0acd514 draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author | bgruening |
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date | Thu, 15 Aug 2024 11:05:06 +0000 |
parents | 78640d0127ce |
children |
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--- a/ob_grep.xml Tue Nov 10 20:32:42 2020 +0000 +++ b/ob_grep.xml Thu Aug 15 11:05:06 2024 +0000 @@ -3,8 +3,9 @@ <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism--> <macros> <import>macros.xml</import> - <token name="@GALAXY_VERSION@">0</token> + <token name="@GALAXY_VERSION@">1</token> </macros> + <options sanitize="False"/> <expand macro="requirements"/> <command> <![CDATA[ @@ -59,7 +60,6 @@ <param name="full_match" type="boolean" label="Full match" help="Print matching molecules only when the number of heavy atoms equals the number of atoms in the SMARTS pattern" truevalue="-f" falsevalue="" checked="false" /> <param name="number_of_matches" type="boolean" label="Print the number of matches" truevalue="-c" falsevalue="" checked="false" /> </inputs> - <options sanitize="False"/> <outputs> <expand macro="output_like_input"/> </outputs> @@ -92,8 +92,8 @@ The search query can be submitted either as a single SMARTS pattern or as a file containing multiple SMARTS patterns. -.. _Obgrep: http://openbabel.org/wiki/Obgrep -.. _here: http://openbabel.org/wiki/SMARTS +.. _Obgrep: https://open-babel.readthedocs.io/en/latest/Command-line_tools/babel.html#filtering-molecules-from-a-multimolecule-file +.. _here: https://open-babel.readthedocs.io/en/latest/Command-line_tools/babel.html#smarts-descriptor -----