Halogen bond interaction

[Konda Leela Sarath Kumar]

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

[Jacob Durrant]

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!

[Author]

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