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#1 Multiwfn and wavefunction analysis » Generating colored mapped scatter map of NCI RDG isosurfaces » 2020-03-30 06:14:08

bmakiabadi1359
Replies: 1

Dear Multiwfn users,

  I am trying to generate a colored mapped scatter map of NCI isosurfaces according to the instruction of the multiwfn 3.5 manual. W were able to generate the output.txt file as instructed and we have used ultraedit text editor to remove the first 3 columns of the data as instructed. Also, we install gnuplot program. We do not have the folder containing gnuplot executable file for moving of output.txt and the RDGmap.gnu fils into this folder. Also, what is RDGmap.gnu and where do we find it?

Could you please direct us that we can have a coloured scatter plot?

Thanks in advance for your usual help.

Regard

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