[PyMOL] NMR Chemical shift perturbation data to surface representation

2008-06-23 Thread Jason Vertrees
Ankit, This has been detailed on the PyMOLWiki. All you need is (1) a structure and (2) a text file with one number for each residue. To make it more accurate, you can do one number per atom, but then the script(s) will need to be changed a little. So, check out http://www.pymolwik

Re: [PyMOL] NMR Chemical shift perturbation data to surface representation

2008-06-22 Thread Chavas Leo
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

[PyMOL] NMR Chemical shift perturbation data to surface representation

2008-06-20 Thread Ankit Gupta
Hi 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