Dear Ankit --

On 20 Jun 2008, at 18:38, Ankit Gupta wrote:
I want my chemical shift perturbation data to be mapped to the stucture. I am trying different things such as trying to get it to b-factor like position but haven't been successful. Is there any way I can get the data to be shown in pdb with various colors representing low/high perturbation in chemical shifts?

I'm feeling that doing the ADP thing is the best solution. ConSurf is using this column to display the conservation of amino acids, and it's working very well! I don't know why it shouldn't with the chemical shift. You just have to be careful that you don't have a negative value, although I'm not sure PyMol cannot deal with those. Just normalize the all values and change the ADP column of your pdb might do the trick. Just my opinion though.

HTH. Kind regards.

-- Leo --
Chavas Leonard, Ph.D.
Research Associate
Faculty of Life Sciences
The University of Manchester
The Michael Smith Building
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Manchester Lancashire
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