[chimerax-users] fold

[Tom Goddard]

Hi Ruggero,

  The ChimeraX daily builds and 1.3 release candidates later this week have an AlphaFold tool to fetch predicted structures from the AlphaFold database and EBI or run a new structure prediction.  It is in ChimeraX menu Tools / Structure Prediction / AlphaFold.

  Could we instead have a single button on the ChimeraX toolbar to do it?  Well, you need to choose the sequence, so the above AlphaFold tool is pretty much just a panel to choose the sequence and then press Fetch or Predict.

  AlphaFold has lots of limitations -- single chains not complexes, limited sequence length (about 1000 amino acids for the ChimeraX version), long running times (1 - 3 hours), no ligands, ions, metals, waters, ....

	Tom


> On Oct 10, 2021, at 1:44 AM, Ruggero Gabbrielli via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Maybe it’s a little too early for that, but can’t you just add a button for folding a sequence?
> _______________________________________________
> ChimeraX-users mailing list
> ChimeraX-users at cgl.ucsf.edu
> Manage subscription:
> https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users
>