Thanks everyone for all your suggestions. What's the issue? Each residue has one CSV value (per residue value) and the PDB line contains many lines of B-values per residue. This would leave us with no easy one-to-one line correlation between the B-value column and the CSV column. From what I understand, that would rule out a simple cut-and- paste in nedit solution. Basically, the student wanted to colour the molecule by chemical shift.
It took a couple of PhDs in the lab to figure out the solution. The SOLUTION: Many folks have apparently had the same issue before and therefore, someone (aka Warren Delano, I guess), wrote a script for precisely the same and posted an example script on the PymolWiki. All that was needed was a more extensive Google search :) Your suggestions and tips will be diligently used elsewhere. Cheers, Raji
