[chimerax-users] Question about Coulombic electrostatic potential

[Anderson, Jacob]

To piggy back on this question of getting more quantitative information out of ChimeraX's electrostatic/coloumbic functions, is there a way to save information about the electrostatic surface as a readable text file (or a .dx file (if that one is human readable))?  I was hoping to quantitatively get a delta electrostatic surface of two surfaces at different propka-ph values.

Or perhaps a way to generate that difference surface in ChimeraX?
________________________________
From: ChimeraX-users <chimerax-users-bounces at cgl.ucsf.edu> on behalf of Sunisa Yoodee via ChimeraX-users <chimerax-users at cgl.ucsf.edu>
Sent: Saturday, February 19, 2022 12:22 AM
To: chimerax-users at cgl.ucsf.edu <chimerax-users at cgl.ucsf.edu>
Subject: [chimerax-users] Question about Coulombic electrostatic potential

Dear UCSF ChimeraX

We used the ChimeraX program to calculate electrostatic potential. By using the coulombic command, a molecular surface was generated and colored. However, we also need the electrostatic potential value (kcal/(mol*e))of the protein. Could you please give some advices how to get this value?

Best Regards,
Sunisa Yoodee
--
Sunisa Yoodee, Ph.D

Medical Proteomics Unit,
Faculty of Medicine Siriraj Hospital,
Mahidol University,
6th Floor SiMR Building,
2 Wanglang Road, Bangkoknoi,
Bangkok 10700, THAILAND
Tel: 66-8-06691102
e-mail: yd.sunisa at gmail.com<mailto:yd.sunisa at gmail.com>


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