[Chimera-users] calculating electrostatic potential

[Elaine Meng]

> On Nov 26, 2020, at 1:56 PM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> 
> Dr. Prabuddha Bhattacharya,
> 
> The Chimera tutorials are here:
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/frametut.html>
> 
> ... and there is one specifically including coloring by electrostatic potential.  See the second section of the tutorial: "Coulombic electrostatic potential" for the easier approach if you just want surface coloring.
> 
> <https://www.rbvi.ucsf.edu/chimera/current/docs/UsersGuide/tutorials/surfprop.html>
> <https://www.rbvi.ucsf.edu/chimera/current/docs/UsersGuide/tutorials/surfprop.html#esp1>

Those two links above are the slightly older version of the tutorial.  Instead use the newest version of the tutorial at:

<https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html>
<https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html#esp1>

(the links with "current" in them go to the 1.14 release documentation right now, which is a year old.  When 1.15 is released, which will be very soon, then the "current" links will be much newer)

Elaine

> However, if you want to calculate a map of the Poisson-Boltzmann electrostatic potential, there is no way to do that directly in Chimera currently.  Instead you will need to use some other program or web server, such as the APBS or DelPhi web servers, links provided in the third part of the tutorial:
> 
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html#esp2>
> 
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.                       
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> 
>> On Nov 26, 2020, at 11:00 AM, Prabuddha Bhattacharya <b.prabuddha3 at gmail.com> wrote:
>> 
>> Dear Sir
>> 
>> Can you help me with a step by step tutorial to find out the electrostatic potential map of a molecule on chimera?
>> 
>> Thank you
>> 
>> Best regards
>> 
>> Dr. Prabuddha Bhattacharya 
> 
> 
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