Multiwfn forum

Ossama

Member

Registered: 2019-11-12

Posts: 20

Skewness

Dear Professor Tian Lu

In the "Quantitative analysis of molecular surface", is it possible to add the skewness of the investigated function (including, but not limited to, positive and negative electrostatic potentials)?
The definition of skewness which I am working on is displayed in the attached image.
Of course I can export the surface vertices, and calculate any statistical parameter, but this would be tiresome for a large number of molecules. I also think that skewness may be a good addition to Multiwfn Software.

Thanks and regards,,

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: Skewness

I have implemented it and updated Multiwfn on website, now skewness will be automatically printed after calculation in main function 12.

Ossama

Member

Registered: 2019-11-12

Posts: 20

Re: Skewness

Thanks!