NCIPlot GUI is a graphical frontend for UCSF Chimera. It runs NCIPlot behind the scenes to depict non covalent interaction blobs of the selected molecules. It also supports a CUDA GPU implementation, cuNCI.
NCIPlot is GPL software developed by Alberto Otero de la Roza,
Julia Conteras-Garcia, Erin R. Johnson, and Weitao Yang. Make sure to check their GitHub.
cuNCI is developed by Gaëtan Rubez, Jean-Matthieu Etancelin, Xavier Vigouroux, Michael Krajecki, Jean-Charles Boisson, and Eric Hénon, and published in JCC.
You need to download NCIPlot from here and configure Tangram NCIPlot so it can find the location where you extracted the files.
We also provide Anaconda binaries so you can install them easily with these commands:
conda install -c insilichem nciplot
conda install -c insilichem cunci # only if you have a CUDA-enabled dGPU
Download or clone this repository and extract it in any location. Then, open up Chimera and go to Favorites> Preferences. In the Category dropdown, select Tools. In the lower part of the dialog, under Locations, click on Add and select the parent location where you extracted NCIPlot GUI. Ie, the selected folder must contain NCIPlot.
NCIPlot GUI will take care of everything else, but if it fails, you can enter the configuration details manually with the button Configure.
By default, the UI will try to locate the CPU implementation (nciplot), but if you have installed the GPU one, you can set it manually in the Configuration dialog. The executable is called cuda_nci and should be located in the same folder as nciplot. Everything else is handled automatically.