new tool for aligning and comparing PDB structures #171
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The lint is failing unfortunately. |
bgruening
reviewed
Jun 5, 2024
tools/buildtools/protein_structure_rebuilders/BioPDB/BioPDB_align_and_rmsd.xml
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…ign_and_rmsd.xml Co-authored-by: Björn Grüning <[email protected]>
Co-authored-by: Björn Grüning <[email protected]>
bgruening
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Jun 6, 2024
bgruening
merged commit b90c5ab
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galaxycomputationalchemistry:master
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step 3 if you are interested: https://usegalaxy-eu.github.io/posts/2020/08/22/three-steps-to-galaxify-your-tool/ |
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This tool can be used to align different protein structures and compute their alpha carbon RMSDs. As Galaxy continues to expand its tool set of protein structure prediction software (such as AlphaFold2, ColabFold, and even quantum computing methods), this will allow users to compare their models with experimental structures, or other models.