Multiwfn forum

NickD

Member

Registered: 2019-01-24

Posts: 16

Color for (3,-3) critical point

Hello

When I do a topological analysis the color of the (3,-3) critical point as shown on GUI (3D structure) is purple. However, for the same structure on a 2D contour map this point is colored brown. Is there a way for changing the latter color to purple as is shown on the GUI ?

Thank you,
Nick

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,624

Website

Re: Color for (3,-3) critical point

You can change "CP_RGB" parameter in settings.ini to customize color for various kinds of critical points.

NickD

Member

Registered: 2019-01-24

Posts: 16

Re: Color for (3,-3) critical point

Hello
Thank you for your reply. This line is
CP_RGB= 0.72,0,0.72, 1,0.5,0, 1,1,0, 0,1,0
The first point is the (3,-3). Any changes here only affect the point on the GUI (here this point is purple), when the 3D structure is displayed, whereas have no effect on a 2D contour plot. In a 2D plot I always have the (3,-3) as brown.

NickD

Member

Registered: 2019-01-24

Posts: 16

Re: Color for (3,-3) critical point

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,624

Website

Re: Color for (3,-3) critical point

Today I updated the Multiwfn 3.7(dev) on Multiwfn website, now a new parameter "CP_RGB_2D" is added to the settings.ini file, you can use it to change color of various CPs in plane map.

amal2020

Member

Registered: 2020-04-22

Posts: 1

Re: Color for (3,-3) critical point

Dear  Tian Lu (Multiwfn developer)  ,

  I am Dr.M.amalanathan from india.
I am trying to generate a colored mapped scatter map of NCI isosurfaces according to the instruction of the multiwfn 3.5 manual. As per the video posted https://youtu.be/e4FpVc9ao48, i am try to plot the colored scatter map of NCI.

As per your tutorial i type the gnuplot RDGmap.gnu in the command folder. but it does not generate the RDGmap.ps file.

Since it does not created i am un able to plot the colored scatter map
.
I request you to give idea for generating ps file

Thanking You

Regard

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,624

Website

Re: Color for (3,-3) critical point

Dear  Tian Lu (Multiwfn developer)  ,

  I am Dr.M.amalanathan from india.
I am trying to generate a colored mapped scatter map of NCI isosurfaces according to the instruction of the multiwfn 3.5 manual. As per the video posted https://youtu.be/e4FpVc9ao48, i am try to plot the colored scatter map of NCI.

As per your tutorial i type the gnuplot RDGmap.gnu in the command folder. but it does not generate the RDGmap.ps file.

Since it does not created i am un able to plot the colored scatter map
.
I request you to give idea for generating ps file

Thanking You

Regard

This is because you Multiwfn version is too old. The script in old package and new package is somewhat different. If you use latest version instead and carefully follow the video tutorial, the map should be able to normally generated.