NBOPro@Jmol "Plugin" for the Jmol 3D Viewer

The multi-modular electronic capabilities of NBOPro have now been "plugged in" to the powerful graphical capabiliies of the Jmol 3D chemical structure viewer:

NBOPro@Jmol is composed of four interacting program modules:

  (1) Model: A full-fledged molecular design editor and quantum-chemical file-conversion utility, complementing and extending the capabiities of the Jmol host program;

  (2) Run:The powerful GenNBO 7.0 program to perform NBO7-level analyses of any available wavefunction archive (.47) file for a wide variety of user-selectable keyword options;

  (3) View: Full-fledged NBOView 2.0 raytracing capabilities, now enhanced with coordinated Jmol graphics to provide a new standard of graphical beauty, accuracy, and convenience for all NBO-related visualizations (still or video);

  (4) Search: Interactive "data miner" module that directly answers a broad range of inquiries (including visual images, descriptor compilations, search for extremal values, etc.) concerning NBO analysis results of interest. As necessary for more advanced inquiries, NBO re-analysis is automatically performed and the results searched (in background) to provide the responsive answers, even if the user has no familiarity with the underlying files and operations.

NBOPro@Jmol is the ultimate tool for "file-free" pedagogical and research-level NBO applications.

[NBOPro@Jmol is available as a 64-bit binary executable (.exe) program for PC-Windows platforms. The distribution package includes all necessary host Jmol.jar and slave GenNBO 7.0 and raytracer viewing components for immediate "load and go" applications with any "jobname.47" wavefunction archive file, including the large number available on the web-based NBOrXiv.]