Mercurial > repos > guerler > springsuite
diff spring_model_all.xml @ 39:172398348efd draft
"planemo upload commit 26b4018c88041ee0ca7c2976e0a012015173d7b6-dirty"
author | guerler |
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date | Fri, 22 Jan 2021 15:50:27 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/spring_model_all.xml Fri Jan 22 15:50:27 2021 +0000 @@ -0,0 +1,51 @@ +<tool id="spring_model_all" name="SPRING Model-All" version="0.1.0" python_template_version="3.5" license="MIT"> + <description>complex structures</description> + <requirements> + <requirement type="package" version="1.78">biopython</requirement> + <requirement type="package" version="20170708">tmalign</requirement> + <requirement type="package" version="3.06">pulchra</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ + python3 '$__tool_directory__/spring_model_all.py' -p '$pairs' -ih '$index_hhr' -dh '$database_hhr' -i '$index_pdb' -d '$database_pdb' -c '$crossreference' -o 'models' -g '$log' + ]]></command> + <inputs> + <param format="tabular" name="pairs" type="data" label="Interacting Pairs" help="Tabular 2-column file containing putative protein interaction pairs."/> + <param format="ffindex" name="index_hhr" type="data" label="HHR Index" help="HHR Database Index file (ffindex)."/> + <param format="ffdata" name="database_hhr" type="data" label="HHR Database" help="HHR Database files (ffdata)."/> + <param format="ffindex" name="index_pdb" type="data" label="PDB Index" help="PDB Database Index file (ffindex)."/> + <param format="ffdata" name="database_pdb" type="data" label="PDB Database" help="PDB Database files (ffdata)."/> + <param format="tabular" name="crossreference" type="data" label="Cross Reference" help="SPRING PDB Cross Reference as produced by SPRING Cross tool."/> + </inputs> + <outputs> + <collection type="list" label="SPRING Model Structures" name="models"> + <discover_datasets pattern="__name_and_ext__" directory="models" /> + </collection> + <data format="tabular" name="log" label="SPRING Model Log"/> + </outputs> + <help><![CDATA[ +Creates protein complex model from HHsearch threading results. + ]]></help> + <tests> + <test> + <param name="pairs" value="model/pairs.txt" /> + <param name="index_hhr" value="model/hhr.ffindex" /> + <param name="database_hhr" value="model/hhr.ffdata" /> + <param name="index_pdb" value="model/pdb_structures.ffindex" /> + <param name="database_pdb" value="model/pdb_structures.ffdata" /> + <param name="crossreference" value="model/crossreference.txt" /> + <output name="log" file="model/log.txt"/> + </test> + </tests> + <citations> + <citation type="bibtex"> +@misc{githubhh-suite, +author = {Guerler, Govindarajoo, Zhang}, +year = {2013}, +title = {Mapping Monomeric Threading to Protein-Protein Structure Prediction}, +publisher = {ACS Publications}, +journal = {Journal of Chemical Information and Modeling}, +url = {https://pubs.acs.org/doi/10.1021/ci300579r}, +} + </citation> + </citations> +</tool> \ No newline at end of file