CLI tool to view CIF files from various sources in your editor
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Mar 7, 2026 - Python
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gemmi
Here are 6 public repositories matching this topic...
Calculates the per-residue atomic distance between two proteins
bioinformatics structural-biology protein-structure matplotlib rmsd euclidean-distances pdbe bioinformatics-tool gemmi
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Jan 5, 2024 - Python
Offline-First Computational Biology Workbench: Protein Structure Analysis, Pocket Detection, AutoDock Vina Docking & OpenMM Molecular Dynamics
react bioinformatics molecular-dynamics computational-biology openmm rdkit molecular-docking autodock-vina fastapi gemmi
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Nov 5, 2026 - Python
Structural analysis of the β-globin Glu6Val substitution in sickle cell disease: surface chemistry, solvent exposure, and the deoxyhaemoglobin S polymer contact interface
bioinformatics structural-biology pdb protein-structure computational-biology biopython sickle-cell haemoglobin gemmi
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Oct 8, 2026 - Jupyter Notebook
A curation gate for protein structure datasets — counts what mmCIF files actually contain, and how much a random train/test split leaks.
python bioinformatics data-validation structural-biology pdb protein-structure reproducibility mmcif data-quality gemmi
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Aug 10, 2026 - Python
The wwPDB Chemical Component Dictionary (CCD) from Python — fetch any of ~45,000 ligands/monomers by id over HTTP, no download.
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Oct 16, 2026 - Python
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