Mercurial > repos > bgruening > suite_openbabel

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author bgruening
date Thu, 15 Aug 2024 11:06:30 +0000
parents 4e41a0d2c2b8
children
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<?xml version="1.0" ?>
<repositories description="Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.">
    <repository owner="bgruening" name="openbabel_remove_protonation_state" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="22a866858b81"/>
    <repository owner="bgruening" name="openbabel_remduplicates" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="c5de6c19eb06"/>
    <repository owner="bgruening" name="openbabel_structure_distance_finder" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="8302ab092300"/>
    <repository owner="bgruening" name="openbabel_remsmall" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="81836d586797"/>
    <repository owner="bgruening" name="openbabel_svg_depiction" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="75ee9c410951"/>
    <repository owner="bgruening" name="openbabel_remions" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="f70b83b730ac"/>
    <repository owner="bgruening" name="openbabel_change_title" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="a638d8d13bb3"/>
    <repository owner="bgruening" name="openbabel_spectrophore_search" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="f5d7ffbb2d33"/>
    <repository owner="bgruening" name="openbabel_addh" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="7b6fd1c273cd"/>
    <repository owner="bgruening" name="prepare_ligands_for_docking" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="fac2c28b4c55"/>
    <repository owner="bgruening" name="openbabel_subsearch" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="9adf3fae2771"/>
    <repository owner="bgruening" name="openbabel_obgrep" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="985ab0acd514"/>
    <repository owner="bgruening" name="openbabel_genprop" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="50eaae9df8d3"/>
    <repository owner="bgruening" name="openbabel_filter" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="988085c7a0ea"/>
    <repository owner="bgruening" name="openbabel_compound_convert" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="4242b4d68e9c"/>
</repositories>