To Chimera Developers,
Hello, this is Daniel Lee from University of Utah Department of Pharmaceutics and Pharmaceutical Chemistry. I am currently working as a Teaching Assistant in a DNA/Protein modeling class for graduate students. We are using UCSF chimera 1.17 to explore molecular structures. I have a hard time trying to get the system to show electrostatic surface with colors matching to the electronegativity. I followed the tutorials however it seems really difficult to reproduce what the tutorial did. Surface/binding analysis did not had the preselected electrostatic potential file. I looked through the system files however did not find anything. Would you be able to assist me with this issue?
The PDB model I was exploring was 2KTZ and 2KU0. I used the fetch function to download this file.
Thank you, Daniel
Hi Daniel, I don't understand - what preselected electrostatic potential file are you talking about, and what tutorial says there should be such a thing?
There is a tutorial for coloring by Coulombic electrostatic potential, but it does not use any outside files, only the pdb 3eeb: http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html
At the end of the tutorial there is also a link to an electrostatic potential map from DelPhi, but that file is just in case people want to try coloring using a map in addition to the Coulombic coloring that was covered in the tutorial.
Also I hope you mean Chimera 1.7 (not 1.17)!
Maybe this recent post will clarify some things about electrostatic coloring in Chimera... http://plato.cgl.ucsf.edu/pipermail/chimera-users/2013-February/008472.html
I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
p.s. chimera-dev is for programming questions - general questions should go to chimera-users@cgl.ucsf.edu and bug reports to chimera-bugs@cgl.ucsf.edu http://www.cgl.ucsf.edu/chimera/docs/feedback.html
On Feb 15, 2013, at 1:32 PM, Daniel Lee wrote:
To Chimera Developers,
Hello, this is Daniel Lee from University of Utah Department of Pharmaceutics and Pharmaceutical Chemistry. I am currently working as a Teaching Assistant in a DNA/Protein modeling class for graduate students. We are using UCSF chimera 1.17 to explore molecular structures. I have a hard time trying to get the system to show electrostatic surface with colors matching to the electronegativity. I followed the tutorials however it seems really difficult to reproduce what the tutorial did. Surface/binding analysis did not had the preselected electrostatic potential file. I looked through the system files however did not find anything. Would you be able to assist me with this issue?
The PDB model I was exploring was 2KTZ and 2KU0. I used the fetch function to download this file.
Thank you, Daniel _______________________________________________ Chimera-dev mailing list Chimera-dev@cgl.ucsf.edu http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-dev
participants (2)
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Daniel Lee
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Elaine Meng