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#1 Multiwfn and wavefunction analysis ? Inquiry About Visualizing ELF Map from TXT File as PNG ? 2025-02-10 06:44:47
- seongbin
- Replies: 1
Dear Tian,
I was wondering if there is a way to visualize the ELF map as a PNG file using the previously exported TXT file? Alternatively, is there a method to visualize the file saved with NoGUI as well?
I would appreciate any guidance on how to proceed with this.
Thank you.
#2 Multiwfn and wavefunction analysis ? Standardizing the Scale of 2D Maps ? 2025-02-06 08:26:09
- seongbin
- Replies: 1
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.
Pages: 1