Hello,
I just want to verify that the electrostatic potential is measured in volts (V). Is this correct?
Here's an example of my analysis: [image: image.png]
Sorry to be a bother!
-Ryan
Hi Ryan, No, it is not in volts. It's also not something that one could tell from an image per se, but assuming you used ChimeraX to calculate Coulombic electrostatic potential, the units are kcal/(mol·e) at 298 K, as mentioned on this page:
https://rbvi.ucsf.edu/chimerax/docs/user/commands/coulombic.html
If you used APBS, DelPhi, or some other method, you should check the documentation for that method to verify what units they produce.
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Jun 26, 2023, at 12:08 PM, Ryan Gardner via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote:
Hello,
I just want to verify that the electrostatic potential is measured in volts (V). Is this correct?
Here's an example of my analysis: <image.png>
Sorry to be a bother!
-Ryan
Thank you so much, Elaine!
On Mon, Jun 26, 2023 at 1:22 PM Elaine Meng meng@cgl.ucsf.edu wrote:
Hi Ryan, No, it is not in volts. It's also not something that one could tell from an image per se, but assuming you used ChimeraX to calculate Coulombic electrostatic potential, the units are kcal/(mol·e) at 298 K, as mentioned on this page:
https://rbvi.ucsf.edu/chimerax/docs/user/commands/coulombic.html
If you used APBS, DelPhi, or some other method, you should check the documentation for that method to verify what units they produce.
I hope this helps, Elaine
Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Jun 26, 2023, at 12:08 PM, Ryan Gardner via ChimeraX-users <
chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I just want to verify that the electrostatic potential is measured in
volts (V). Is this correct?
Here's an example of my analysis: <image.png>
Sorry to be a bother!
-Ryan
participants (2)
-
Elaine Meng
-
Ryan Gardner