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#1 Re: Multiwfn and wavefunction analysis ? Assistance in Visualizing Specific Interactions in NCI Analysis ? 2025-03-06 07:41:31
Dear Sir,
Thank you for your response, I will proceed with IGMH as per your suggestion.
Best regards,
Lukhmanul Hakeem K.
#2 Multiwfn and wavefunction analysis ? Assistance in Visualizing Specific Interactions in NCI Analysis ? 2025-03-05 17:00:33
- Lukhmanul Hakeem k
- Replies: 2
Dear Sir,
I have generated an RDG isosurface plot by following Section 3.23.1 of the manual on Noncovalent Interaction (NCI) analysis (selection numbers 20-1-3-3). I used the .cub file to generate the image in VMD and also created the RDG scatter plot.
However, I would like to visualize only hydrogen bonds and CH-π interactions in the RDG isosurface while omitting all other interactions. Could you please guide me on how to achieve this? I need a plot similar to the one attached below.
I would greatly appreciate your help.
Best regards,
Lukhmanul Hakeem K.
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