<![CDATA[Multiwfn forum / Standardizing the Scale of 2D Maps]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=1602 Thu, 06 Feb 2025 10:44:50 +0000 FluxBB <![CDATA[Re: Standardizing the Scale of 2D Maps]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4879#p4879 Please check Section 3.5.2 of Multiwfn manual, which clarified the different modes of defining plotting plane. You may use the same origin and translation vectors and number of grids.

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Thu, 06 Feb 2025 10:44:50 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4879#p4879
<![CDATA[Standardizing the Scale of 2D Maps]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4877#p4877 Dear Tian,

Hi!

To compare and analyze the ELF maps of approximately 50 drug molecules, I am attempting to generate image maps by defining a single plane (XY plane) and adjusting the Z-axis values.

While the mapping works correctly for an individual molecule, when generating 2D maps, the mapping is determined based on the origin and end coordinates of the X and Y axes. As a result, the scale and size of the generated maps vary across different molecules, making direct comparison difficult.

(For example, even the same hydrogen atom appears at different sizes in ELF maps of different molecules.)

Therefore, I would like to know how to generate consistently sized images across different image maps, such as by fixing the scale of the generated images.

Thank you.


J01-AA02-0-18.png

J01-DC04-1-73.png

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Thu, 06 Feb 2025 08:26:09 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4877#p4877