Hi,
I was preparing a figure and we opened the same AF2 structure both in chimerax and pymol, and colored according to pLDDT. We expected something quite similar, but some of the residues were not colored the same (left chimerax, middle official AF2 coloring, right pymol)
These are the corresponding CA atoms from the file, there are several that are above 70.
ATOM 2 CA MET B 1 26.541 -48.983 -34.346 1.00 49.18 C
ATOM 10 CA ALA B 2 23.562 -47.870 -36.454 1.00 60.35 C
ATOM 15 CA ASP B 3 25.250 -49.497 -39.528 1.00 68.46 C
ATOM 23 CA ALA B 4 25.752 -52.804 -37.641 1.00 69.86 C
ATOM 28 CA TRP B 5 22.024 -53.025 -36.747 1.00 68.46 C
ATOM 42 CA GLU B 6 21.036 -52.590 -40.351 1.00 71.02 C
ATOM 51 CA GLU B 7 23.249 -55.575 -41.294 1.00 76.21 C
ATOM 60 CA ILE B 8 21.578 -57.739 -38.645 1.00 74.81 C
ATOM 68 CA ARG B 9 18.177 -56.653 -39.803 1.00 70.07 C
ATOM 79 CA ARG B 10 19.226 -57.507 -43.334 1.00 74.00 C
ATOM 90 CA LEU B 11 20.598 -60.932 -42.264 1.00 74.36 C
ATOM 98 CA ALA B 12 17.459 -61.553 -40.194 1.00 69.47 C
ATOM 103 CA ALA B 13 15.384 -60.625 -43.205 1.00 69.30 C
ATOM 108 CA ASP B 14 17.563 -62.981 -45.430 1.00 70.53 C
ATOM 116 CA PHE B 15 17.273 -65.769 -42.888 1.00 71.78 C
ATOM 127 CA GLN B 16 13.568 -65.190 -42.812 1.00 64.74 C
ATOM 136 CA ARG B 17 13.352 -65.300 -46.586 1.00 65.36 C
ATOM 147 CA ALA B 18 15.491 -68.455 -46.645 1.00 64.05 C
ATOM 152 CA GLN B 19 13.261 -70.000 -44.028 1.00 60.46 C
ATOM 161 CA PHE B 20 10.117 -69.389 -46.168 1.00 62.26 C
ATOM 172 CA ALA B 21 11.642 -70.083 -49.654 1.00 56.65 C
ATOM 177 CA GLU B 22 11.244 -73.693 -49.767 1.00 53.68 C
ATOM 186 CA ALA B 23 7.622 -74.493 -50.250 1.00 56.47 C
After looking at again the docs, I understood that chimerax has a different coloring
AFDB
Can you maybe change this? Most people are probably used to the database's coloring, and could interpret it wrong (like me... It drove me crazy when showing somebody else, why the plddt-s do not match to what I have shown before, just in a figure by chimerax).
I understand that in the documentation the colorbar is according to the coloring that chimerax does, but it would be better if it was according to the standard.
Thank you so much!
Kind regards,
Julia Varga