Hi Arun,

  As you have found out Boltz 2 and AlphaFold 3 organize their input and output files in different directories than AlphaFold 3.  Since Alphabridge is designed to work with AlphaFold 3 and not Boltz it is not surprising that AlphaBridge won't work with Boltz.  But it is not just the arrangement of files that is the problem.  The actual data output by Boltz aside from the mmCIF structure file uses different formats.  Boltz for instance puts its PAE and PDE per-residue-pair confidence data in a numpy .npz file while AlphaFold 3 uses .json (at least last I used it).  Also the confidence metrics like ipTM in Boltz are in a json file that is different from what AF3 provides.  The pLDDT scores are in the b-factor column (and also an mmCIF scoring table I think) in both AF3 and Boltz 2 output so Alphabridge would be able to access those.

   In short, it would take more than just rearranging files, some would probably have to be put in different formats to work with Alphabridge.  Maybe someone has already done that, you could ask the Alphabridge developers.  ChimeraX could do it if we had time to implement it.  But I'd be more inclined to just add directly into ChimeraX the Alphabridge plots so you don't need to go to a web server.  Could you tell me which specific plots you like from Alphabridge?  Is it the circular residue-residue interaction plot that colors by different interfaces that you like?  (Example image below.)

Tom

alphabridge.png
On Aug 8, 2025, at 3:00 AM, Arun Gupta via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

Dear ChimeraX Team,
I am currently working on visualizing interface residues using Circos plots via the Alphabridge web server, and I’m exploring ways to tailor the Boltz-2 ChimeraX output folder to serve as a compatible input format for Alphabridge web server (https://alpha-bridge.eu/) similar to the AF-3 output zipped folder.
Zip file containing the AlphaFold resultSubmit job
Despite successfully generating Boltz-2  outputs in ChimeraX daily build, I’m facing challenges in aligning the output folder  with what Alphabridge web server expects for Circos plot generation. Could you kindly advise on:
  • Whether there is a recommended way to export or reformat Boltz-2 ChimeraX outputs for Alphabridge webserver  compatibility?
Any advice on post-output  work flow steps would be immensely helpful, as I aim to produce publication-quality Circos plot visualizations of interface residue networks similar to those demonstrated by recent AlphaBridge pre-print publication (DOI:https://doi.org/10.1101/2024.10.23.619601).
Thank you very much for your support and for the fantastic tool you continue to develop for structural biology community. I look forward to your recommendations.
Best regards,
Arun

Arun Gupta PhD, MRSC
Sr. Post Doctoral Research Assistant
Gillespie/McMichael Group
Nuffield Dept. of Clinical Medicine,
University of Oxford,
Centre for Immuno-Oncology
Old Road Campus Research Building, 
Roosevelt Drive, Oxford 
OX3 7DQ
Tel: + 44 (0)1865 2612913


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