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@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@cgl.ucsf.edu Manage subscription: https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users