CCL: How to Visualize NCI Plot



Hello Sumangla,
 Generating a colour coded NCI plot is quite simple.
 1. Foremost, please download Gnuplot from Sourceforge :
 https://sourceforge.net/projects/gnuplot/files/gnuplot/ (If
 you haven't
 already)
 2. Installing it is straightforward, just run the .exe file and follow the
 on-screen instructions.
 3. Please download and extract the appropriate version of Multiwfn from
 here: http://sobereva.com/multiwfn/download.html
 4. Find the examples folder within the main Multiwfn folder.
 5. Copy the RDGscatter.gnu script available in here, into 'bin' of gnuplot/
 6. Now, you could copy the .txt file that you have which contains the
 scatter data of the NCI plot, into bin again where you placed
 RDGscatter.gnu. Also, rename the .txt file as output.txt. (if it isn't so,
 already)
 7. Open CMD (on Windows) and move into the bin within gnuplot. If you have
 installed gnuplot directly within C:\ the following should work.
 cd\ <Enter>
 cd gnuplot/bin
 8. Type "gnuplot RDGscatter.gnu"
 9. Once the command line appears again, you would see a file RDGscatter.eps
 generated just below RDGscatter.gnu within bin.
 10. You could use any eps viewer to open and convert RDGscatter.gnu into
 other image formats.
 Hope it helps.
 Warmth
 Swaroop
 On Tue, Jun 22, 2021 at 11:28 AM SUMANGLA ARORA arorasumangla#,#gmail.com <
 owner-chemistry{=}ccl.net> wrote:
 >
 > Sent to CCL by: "SUMANGLA  ARORA" [arorasumangla]=[gmail.com]
 > To
 > CCL Subscribers
 >
 > Dear All,
 > I was trying to visualize NCI analysis by .txt file with Gnuplot. But for
 > this, I need RDG.scatter.gnu. Can you help in providing this script or
 > tell
 > me which keywords will be helpful in making colored NCI plots? Or is there
 > some other way to visualize the NCI plot?
 >
 > Thanks
 > Sumangla
 >
 >
 >
 > Name: Sumangla
 > Email id: arorasumnangla-*-gmail.com>
 >
 >