Mercurial > repos > galaxy-australia > alphafold2
diff macro_output.xml @ 15:a58f7eb0df2c draft
planemo upload for repository https://github.com/usegalaxy-au/tools-au commit fd45a857a71358e7e5375dcfb5043cdc8560c5a5
author | galaxy-australia |
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date | Fri, 10 Mar 2023 02:48:07 +0000 |
parents | |
children | 6ab1a261520a |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macro_output.xml Fri Mar 10 02:48:07 2023 +0000 @@ -0,0 +1,176 @@ +<macros> + <xml name="output_pdb_models"> + <data name="model5" format="pdb" from_work_dir="output/alphafold/ranked_4.pdb" label="${tool.name} on ${on_string}: PDB ranked 4"/> + <data name="model4" format="pdb" from_work_dir="output/alphafold/ranked_3.pdb" label="${tool.name} on ${on_string}: PDB ranked 3"/> + <data name="model3" format="pdb" from_work_dir="output/alphafold/ranked_2.pdb" label="${tool.name} on ${on_string}: PDB ranked 2"/> + <data name="model2" format="pdb" from_work_dir="output/alphafold/ranked_1.pdb" label="${tool.name} on ${on_string}: PDB ranked 1"/> + <data name="model1" format="pdb" from_work_dir="output/alphafold/ranked_0.pdb" label="${tool.name} on ${on_string}: PDB ranked 0"/> + </xml> + + <xml name="output_pae_csv"> + <data + name="pae_ranked_4" + format="csv" + from_work_dir="output/alphafold/extra/pae_ranked_4.csv" + label="${tool.name} on ${on_string}: pae_ranked_4.csv" + > + <filter>outputs['pae_csv']</filter> + <filter>model_preset != "monomer"</filter> + </data> + <data + name="pae_ranked_3" + format="csv" + from_work_dir="output/alphafold/extra/pae_ranked_3.csv" + label="${tool.name} on ${on_string}: pae_ranked_3.csv" + > + <filter>outputs['pae_csv']</filter> + <filter>model_preset != "monomer"</filter> + </data> + <data + name="pae_ranked_2" + format="csv" + from_work_dir="output/alphafold/extra/pae_ranked_2.csv" + label="${tool.name} on ${on_string}: pae_ranked_2.csv" + > + <filter>outputs['pae_csv']</filter> + <filter>model_preset != "monomer"</filter> + </data> + <data + name="pae_ranked_1" + format="csv" + from_work_dir="output/alphafold/extra/pae_ranked_1.csv" + label="${tool.name} on ${on_string}: pae_ranked_1.csv" + > + <filter>outputs['pae_csv']</filter> + <filter>model_preset != "monomer"</filter> + </data> + <data + name="pae_ranked_0" + format="csv" + from_work_dir="output/alphafold/extra/pae_ranked_0.csv" + label="${tool.name} on ${on_string}: pae_ranked_0.csv" + > + <filter>outputs['pae_csv']</filter> + <filter>model_preset != "monomer"</filter> + </data> + </xml> + + <xml name="output_pickles"> + <data + name="output_ranked_4_pkl" + format="binary" + from_work_dir="output/alphafold/extra/ranked_4.pkl" + label="${tool.name} on ${on_string}: ranked_4.pkl" + > + <filter>outputs['model_pkls']</filter> + </data> + <data + name="output_ranked_3_pkl" + format="binary" + from_work_dir="output/alphafold/extra/ranked_3.pkl" + label="${tool.name} on ${on_string}: ranked_3.pkl" + > + <filter>outputs['model_pkls']</filter> + </data> + <data + name="output_ranked_2_pkl" + format="binary" + from_work_dir="output/alphafold/extra/ranked_2.pkl" + label="${tool.name} on ${on_string}: ranked_2.pkl" + > + <filter>outputs['model_pkls']</filter> + </data> + <data + name="output_ranked_1_pkl" + format="binary" + from_work_dir="output/alphafold/extra/ranked_1.pkl" + label="${tool.name} on ${on_string}: ranked_1.pkl" + > + <filter>outputs['model_pkls']</filter> + </data> + <data + name="output_ranked_0_pkl" + format="binary" + from_work_dir="output/alphafold/extra/ranked_0.pkl" + label="${tool.name} on ${on_string}: ranked_0.pkl" + > + <filter>outputs['model_pkls']</filter> + </data> + </xml> + + <xml name="output_plots"> + <data + name="plot_ranked_4" + format="png" + from_work_dir="output/alphafold/extra/ranked_4.png" + label="${tool.name} on ${on_string}: pLDDT/PAE plot ranked 4" + > + <filter>outputs['plots']</filter> + </data> + <data + name="plot_ranked_3" + format="png" + from_work_dir="output/alphafold/extra/ranked_3.png" + label="${tool.name} on ${on_string}: pLDDT/PAE plot ranked 3" + > + <filter>outputs['plots']</filter> + </data> + <data + name="plot_ranked_2" + format="png" + from_work_dir="output/alphafold/extra/ranked_2.png" + label="${tool.name} on ${on_string}: pLDDT/PAE plot ranked 2" + > + <filter>outputs['plots']</filter> + </data> + <data + name="plot_ranked_1" + format="png" + from_work_dir="output/alphafold/extra/ranked_1.png" + label="${tool.name} on ${on_string}: pLDDT/PAE plot ranked 1" + > + <filter>outputs['plots']</filter> + </data> + <data + name="plot_ranked_0" + format="png" + from_work_dir="output/alphafold/extra/ranked_0.png" + label="${tool.name} on ${on_string}: pLDDT/PAE plot ranked 0" + > + <filter>outputs['plots']</filter> + </data> + </xml> + + <xml name="output_confidence_scores"> + <data + name="output_confidence_scores" + format="tabular" + from_work_dir="output/alphafold/extra/model_confidence_scores.tsv" + label="${tool.name} on ${on_string}: Model confidence scores" + > + <filter>outputs['confidence_scores']</filter> + </data> + </xml> + + <xml name="output_plddts"> + <data + name="output_plddts" + format="tabular" + from_work_dir="output/alphafold/extra/plddts.tsv" + label="${tool.name} on ${on_string}: Per-residue confidence scores (plddts)" + > + <filter>outputs['plddts']</filter> + </data> + </xml> + + <xml name="output_relax_json"> + <data + name="output_relax_json" + format="json" + from_work_dir="output/alphafold/extra/relax_metrics_ranked.json" + label="${tool.name} on ${on_string}: relax_metrics_ranked.json" + > + <filter>outputs['relax_json']</filter> + </data> + </xml> +</macros>