Mercurial > repos > recetox > suite_qcxms

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit 68505a19637f8374cc5bde7e6b9370647a064ca9
author recetox
date Thu, 25 Jul 2024 14:27:12 +0000
parents e28eb547b972
children 8a69e4cea9c6
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<?xml version="1.0" ?>
<repositories description="tools from QCxMS are used for molecular geometry optimization and in silico calculation of mass spectra using quantum chemistry">
    <repository owner="recetox" name="qcxms_production_run" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="e97bfe7ac906"/>
    <repository owner="recetox" name="qcxms_neutral_run" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="8f465c0c3b6c"/>
    <repository owner="recetox" name="qcxms_getres" toolshed="https://toolshed.g2.bx.psu.edu" changeset_revision="53dce0e49af7"/>
</repositories>