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PyBmw v1.0 - Initial Public Release

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@protmind protmind released this 16 Oct 09:55
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v1.0
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🚀 We are thrilled to announce the first official public release of the Python Batch Mutation Wizard (PyBmw) v1.0!

This initial version provides a robust and user-friendly GUI to significantly accelerate in-silico mutagenesis workflows directly within PyMOL. PyBmw is designed for both single-site precision and high-throughput batch processing.

✨ Key Features in this Release

  • Multiple Mutation Modes:

    • Batch Mode: Apply a single mutation to all selected residues at once.
    • Individual Mode: Assign a unique mutation to each selected residue in a clean table.
    • Step-by-Step Mode: Sequentially apply mutations, with interactive controls to preview and cycle through rotamers.

  • High-Throughput CSV Import:

    • Load and stage hundreds of mutations directly from a simple, two-column CSV file (Chain ResidueID,TargetAA).

  • Advanced Refinement:

    • Engage PyMOL's sculpting algorithm to refine sidechain conformations and find better fits.

  • Clear Visual Feedback:

    • Highlighting: Staged residues are highlighted for clear identification.
    • Coloring & Labeling: Mutated residues are automatically colored cyan and labeled (e.g., "ALA123 -> TRP").

  • Flexible Exporting:

    • Save your results as a clean PDB file, a full PyMOL Session (.pse), or both.

🔧 Getting Started

To install and use the plugin, please refer to the detailed instructions in our main README.md file.

A huge thank you to everyone involved in the development and testing of this initial version!

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