I'm trying to colour a molecular surface by sequence conservation...(sorry,
I think I incorrectly posted this to COOTBB the other day)
I've figured out how to do it in GRASP - modify the B-factor column in the
PDB file to represent the percentage conservation and then colour the
surface by B-factor. I know ESPRIPT will make the modified file, but I'm
having trouble generating the correct one..
I am providing ESPRIPT (expert mode, %Equivalent' scoring function) with a
CLUSTALW alignment (Aligned sequences > Main alignment file) and a PDB file
('Aligned sequences' > 'Supplementary pdb' file). I get the error:
'Fatal error: wrong format in PDB file.'
..and the values in the B-factor (%Equivalent) column are all either 99 or
100 which is nonsense according to the alignment.
Has anyone come across this. I don't see anything wrong with my PDB file..
Thanks,
Iain
