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pLDDT Scores in the Boltz-1 Output .pdb File #119

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komatsuna-san opened this issue Dec 22, 2024 · 4 comments
Open

pLDDT Scores in the Boltz-1 Output .pdb File #119

komatsuna-san opened this issue Dec 22, 2024 · 4 comments

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@komatsuna-san
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In AlphaFold and Chai-1, the pLDDT scores are recorded in the B-factor column of the .pdb file output.
However, in Boltz-1 (ver. 0.4.0), there is no such functionality. I find this feature extremely helpful for checking the reliability of predicted structures. Do you have any plans to implement it in Boltz-1 in the future?

@tubiana
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tubiana commented Dec 23, 2024

I vouch for it as well!!

@gcorso
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gcorso commented Dec 24, 2024

Hi, @jwohlwend just added this in the recent commits, it will also be available in the package from version 0.4.1 that will be out soon!

@tubiana
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tubiana commented Dec 27, 2024

Great, I have tested it, and already added a small comment to have it in the range of 0-100 instead of 0-1 d2a91c0#commitcomment-150762371 😊

@jwohlwend
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@tubiana fixed!

keiran-rowell-unsw added a commit to keiran-rowell-unsw/Loki-ASV2_in_silico that referenced this issue Jan 17, 2025
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4 participants