AF2-Like colouring on structures not loaded from AFdb

[a-r-j]

Hi @arose,

Is there an easy way to colour structures according to the pLDDT scheme for AF2 structure? I've added support for ESMFold in #19 but I've not been able to figure out an easy way to colour based on uncertainty.

[a-r-j]

Hey @arose any chance you know of a solution?

[arose]

Last time I checked esmfold was not using model cif files with plddt score but reusing/misusing the bfactor field. You would need to write a custom color scheme or use the uncertainty coloring with adjusted default params.

[a-r-j]

@arose Ah, I see. I think it would be a nice feature to support (mis)using the B factors with this particular colouring scheme. It would support 1) PDBs downloaded from AFDB (rather than retrieved via Mol*) 2) ESMFold PDBs 3) PDBs are still the main format for the ML community writing structural output.

P.S. There is a CIF API for ESMFold which does colour correctly when viewed in Mol*.