Mercurial > repos > bgruening > suite_openbabel

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
author bgruening
date Tue, 10 Nov 2020 20:40:59 +0000
parents e7a64a3084a3
children
comparison
equal deleted inserted replaced
14:e7a64a3084a3 15:4e41a0d2c2b8
1 <?xml version="1.0" ?> 1 <?xml version="1.0" ?>
2 <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."> 2 <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.">
3 <repository owner="bgruening" name="openbabel_subsearch" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="bd678d7db2ae"/> 3 <repository owner="bgruening" name="openbabel_change_title" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="01ab890bf0ad"/>
4 <repository owner="bgruening" name="openbabel_structure_distance_finder" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="49242402887b"/> 4 <repository owner="bgruening" name="openbabel_remduplicates" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="b2569e22b40c"/>
5 <repository owner="bgruening" name="openbabel_spectrophore_search" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="9ce9f996b941"/> 5 <repository owner="bgruening" name="openbabel_remsmall" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="d7f0ca1f2669"/>
6 <repository owner="bgruening" name="openbabel_filter" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="8ee975c49a3d"/> 6 <repository owner="bgruening" name="openbabel_remions" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="4e3b2049a4d3"/>
7 <repository owner="bgruening" name="openbabel_change_title" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="2cd8aee0d830"/> 7 <repository owner="bgruening" name="openbabel_obgrep" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="274193d6c443"/>
8 <repository owner="bgruening" name="openbabel_remions" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="3153b6f3087c"/> 8 <repository owner="bgruening" name="openbabel_compound_convert" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="e2c36f62e22f"/>
9 <repository owner="bgruening" name="openbabel_remove_protonation_state" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="b578d0c101cd"/> 9 <repository owner="bgruening" name="openbabel_remove_protonation_state" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="e376ba0fcde0"/>
10 <repository owner="bgruening" name="openbabel_remsmall" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="e94b2920d4e4"/> 10 <repository owner="bgruening" name="openbabel_filter" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="df4dc55197dd"/>
11 <repository owner="bgruening" name="openbabel_addh" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="f697d9601273"/> 11 <repository owner="bgruening" name="openbabel_addh" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="6e4b7e0c61a6"/>
12 <repository owner="bgruening" name="openbabel_svg_depiction" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="a66827fc370d"/> 12 <repository owner="bgruening" name="openbabel_genprop" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="b249bf9be0d1"/>
13 <repository owner="bgruening" name="openbabel_obgrep" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="2912ebf12ef2"/> 13 <repository owner="bgruening" name="prepare_ligands_for_docking" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="5486f7a2b0cb"/>
14 <repository owner="bgruening" name="openbabel_genprop" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="417845394cdf"/> 14 <repository owner="bgruening" name="openbabel_subsearch" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="c19608db6b15"/>
15 <repository owner="bgruening" name="openbabel_remduplicates" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="12aca74f07d7"/> 15 <repository owner="bgruening" name="openbabel_spectrophore_search" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="330514267c57"/>
16 <repository owner="bgruening" name="openbabel_compound_convert" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="1400d1977e7b"/> 16 <repository owner="bgruening" name="openbabel_structure_distance_finder" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="2c5c7da26e08"/>
17 <repository owner="bgruening" name="prepare_ligands_for_docking" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="a5f4b80e6769"/> 17 <repository owner="bgruening" name="openbabel_svg_depiction" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="7672039a0bb0"/>
18 </repositories> 18 </repositories>