NBO Analysis Section

Using Jmol/JSmol and Learning about NBOs

This page is a layout for the NBO imagery and description. The topic is Visualization of NBOs on web sites using jvxl format.

Fig. 1 Static image.

The accompanying Blog post was published on August 1, 2015: it explores Jmol-jvxl-based visualization of NBOs in a static website. Steps for getting the key elements for building this website are described in the Blog. The visualization is based on jvxl surface and structure files and it is supported by the JSmol. With the help of css, JavaScript, and JQuery, a "gallery-type" interaction with molecular and surface models has been implemented.

The required jvxl files are generated using the Jmol-NBO Visualization Helper. Jmol macro files allow loading and visualization of NBO archive files (.31-.46). A script is generated that writes the NBO surfaces into the corresponding jvxl files. Those are then loaded into the web interface with the assistance of JSmol serving as a client backend.

All files necessary to build this website are available from the Download section of the Blog. This site is build with Bootstrap framework and LESS dynamic style sheet language. It is fully responsive and supports devices, such as phones and tablets.

More of the handy apps and scripts are available at:
http://nbo.marcelpatek.com/

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Computational Scientists Strive to Visualize Structures of Molecules

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The Digital Visualization of Molecules and Orbitals Using Jmol/JSmol

Another text

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NBO Layout example

Images generated by Jmol. Your text goes here.

NBO Gallery

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You also can refresh the page now.

You also can reset the model.

NBO4	NBO5	NBO6
NBO10	NBO11	NBO12

Fig. 2 Click the image above to display it in the larger window.