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Releases: colbyford/pbimol

Initial Release!

23 Dec 18:53

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First Public Release! 🎄

Features:

  • Supports various structure formats (PDB, CIF, MOL2, SDF, XYZ, or Cube) either as a string input or URL (to PDB or other online sources).
  • Uses 3Dmol.js for visualization and allows customization of style (cartoon, stick, surface, etc.) and coloring.
  • Shows small multiples grid of multiple structures (with customizable grid size) and title per cell.
  • Fully filterable with standard PBI filters.

Example Data

structure_id structure_data description
5zmz https://files.rcsb.org/view/5ZMZ.cif Amyloid core of RIP1 (CIF url)
7p9w https://files.rcsb.org/view/7P9W.pdb BHRF1 from EBV (PDB url)
sample_1 ATOM 1 N MET A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C MET A 1 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O MET A 1 1.251 2.390 0.000 1.00 0.00 O ATOM 5 CB MET A 1 1.989 -0.744 1.232 1.00 0.00 C ATOM 6 CG MET A 1 1.515 -2.192 1.281 1.00 0.00 C ATOM 7 SD MET A 1 2.172 -3.069 2.707 1.00 0.00 S ATOM 8 CE MET A 1 1.355 -4.660 2.486 1.00 0.00 C Example peptide (PDB string)