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Generate fully coloured electrostatic potential maps in Avogadro


#1

I want to generate electrostatic potential maps of molecules using Avogadro, that show the colour scheme ranging from blue through green and yellow to red.

In this Youtube video, at 1:32, the video author does just that.

Youtube video grab showing coloured ESP map

However, when I try the same thing on my Avogadro (version 1.2.0), it shows a map that ranges from red through grey and then to blue.

How do i display the colourful electrostatic potential map on my computer? My computer has a 4 GB RAM and an NVIDIA GeForce 210 Graphics Card.

Thank you!


#2

Sorry for the delay - I was on vacation last week.

We changed the color scheme in 1.1 and 1.2 to red to white to blue, instead of green for neutral. If you’re using a Mac, I can certainly send you a custom build. It’d be pretty easy to do using Linux as well. (Unfortunately, at the moment, we don’t have a Windows machine that does daily builds.)

Our goal is that for 2.0, we will allow users to configure the gradients as they want.


#3

Well, I have a Windows machine, so I will just wait it out!


#4

Can you send me the custom build for Mac.


#5

I don’t currently have a build - since this user (18 months ago) was on Windows, we’ve left it for red-white-blue.