[Chimera-users] Problem: Electrostatic surface coloring
meng at cgl.ucsf.edu
Fri Sep 24 20:12:41 PDT 2010
I agree completely with Tom, and would only add that the DelPhi ESP map format (*.phi file) that Chimera reads is from the academic version of DelPhi obtained from the Honig group, as mentioned here:
I don't know if this is still true, but at least at some point in the past there was a commercial version of DelPhi that worked with the Insight program, and that may create a different format of ESP map that Chimera does not read.
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Sep 24, 2010, at 6:13 PM, Tom Goddard wrote:
> Hi Nitesh,
> I don't use DelPhi so I don't know if your function calls are right. I am sure that the file you sent has totally different record sizes than those documented for the *.phi file format. Could your file actually be a surface file rather than an electrostatic grid? These questions about whether you are using DelPhi correctly or why the record structure of your *.phi file does not match the documented file format are best answered by DelPhi experts rather than the Chimera developers. Let me know what you find out.
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