Halogen bond interaction

Computer-Aided Drug Design at the Durrant Lab Forums BINANA Halogen bond interaction

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    • #45250
      Konda Leela Sarath Kumar
      Guest

      Dear Dr Jacob Durrant,

      Hope you are doing well

      Thank you for providing this wonderful tool/code to capture the ligand-protein interactions. While working with code I have noticed that BInana is not capturing the halogen bond interactions. I would like to know about the feasibility of capturing the halogen bond interactions using "Binana.py". Is there any updated version of the Binana which capture these interactions?

      Thank you,
      Sarath

    • #47938
      Jacob Durrant
      Keymaster

      Hi Sarath. Much thanks for your interest in BINANA, and for pointing out the need for this new feature. I added an issue to the BINANA repo as a reminder for a future version. Not sure when the next version will be released (we actually just released a new one a few weeks ago), but that issue should keep it on my radar. Here are some BINANA-related links, in case you’re interested:

      Version 2.0 (just released): https://git.durrantlab.pitt.edu/jdurrant/binana
      Web app: https://durrantlab.pitt.edu/binana/

      Thanks!

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