Mercurial > repos > recetox > matchms
view macros.xml @ 7:b768248c37d0 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52
author | recetox |
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date | Tue, 02 May 2023 10:14:54 +0000 |
parents | ff2455f76a26 |
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<macros> <token name="@TOOL_VERSION@">0.17.0</token> <xml name="creator"> <creator> <yield/> <person givenName="Helge" familyName="Hecht" url="https://github.com/hechth" identifier="0000-0001-6744-996X" /> <person givenName="Maksym" familyName="Skoryk" url="https://github.com/maximskorik" identifier="0000-0003-2056-8018" /> <person givenName="Zargham" familyName="Ahmad" url="https://github.com/zargham-ahmad" identifier="0000-0002-6096-224X" /> <person givenName="Wudmir" familyName="Rojas" url="https://github.com/wverastegui" identifier="0000-0001-7036-9987" /> <organization url="https://www.recetox.muni.cz/" email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" name="RECETOX MUNI" /> </creator> </xml> <token name="@HELP_matchms@"> <![CDATA[ Documentation For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst and https://matchms.readthedocs.io/en/latest/. Upstream Tools +-----------+---------------+--------+-----------+ | Name | Output File | Format | Parameter | +===========+===============+========+===========+ | RAMClustR | Mass spectra | msp | references| +-----------+---------------+--------+-----------+ | RAMClustR | Mass spectra | msp | queries | +-----------+---------------+--------+-----------+ Downstream Tools The output is a JSON file containing serialized matchMS Scores object. The file can be processed by **matchMS output formatter**. ]]> </token> <token name="@HELP_matchms_networking@"> <![CDATA[ Documentation For documentation on the tool see https://github.com/matchms/matchms/blob/master/README.rst and https://matchms.readthedocs.io/en/latest/. **Upstream Tools** matchMS similarity **Downstream Tools** The output is a network-graph file that can be visualized using graph visualization software (e.g., Cytoscape). ]]> </token> <token name="@HELP_formatter@"> <![CDATA[ Usage This tool creates user friendly tables from the similarity scores produced by **matchMS similarity**. The tool can be operated on two modes based on (i) thresholds or (ii) top k matches. Input Table Format The tool expects a JSON file containing serialized matchMS Scores object. Output Table Format +----------+-----------+---------+--------+ | query | reference | matches | scores | +==========+===========+=========+========+ | C001 | Glycine | 6 | 0.5 | +----------+-----------+---------+--------+ | C002 | Glycine | 3 | 0.34 | +----------+-----------+---------+--------+ | ... | ... | ... | ... | +----------+-----------+---------+--------+ ]]> </token> <xml name="citations"> <citations> <citation type="doi">10.5281/zenodo.7178586</citation> <citation type="doi">10.21105/joss.02411</citation> </citations> </xml> </macros>