[Chimera-users] Calculation of the average isoelectric point of a proteins solvation shell

[Elaine Meng]

> On Nov 21, 2015, at 11:54 AM, Csaba Nagy <csaba.nagy at utu.fi> wrote:
> 
> Dear Elaine,
> 
> thank you for your kind reply, and for the instructions regarding the surface charge of the protein. I just realized, that I phrased my question wrong, actually I wanted to calculate the average isoelectric constant of the proteins surface-amino acids in order to apply the most optimal buffer system to solubilize my protein.
> Thank you again.
> 
> Best wishes,
> Csaba
> 

Dear Csaba,
Sorry, Chimera does not calculate isoelectric points or constants, it only estimates charge in aqueous solution near neutral pH. You would need to find some other program to do what you want.

It is best to send Chimera questions to the chimera-users at cgl.ucsf.edu list, CC’d here.

Apologies if you got this message more than once, I was having trouble sending the e-mail.
Best,
Elaine
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Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco