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Towards interactive 3D graphics in chemistry publications

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Abstract

In this paper, we describe how it is possible to extend the visualization and publishing capabilities of the ubiquitous Adobe portable document format (PDF) from the static 2-dimensional (2D) pictures to interactive 3-dimensional (3D) models, 3D-PDF. Embedding 3D scenes of molecules and molecular properties into the electronic Computational Chemistry publications could be very important for visualization of complex molecular properties. No additional 3D-rendering software is required, because the 3D information has been already integrated within the PDF document, which can be displayed by any computer with up-to-date Adobe Acrobat software installed. We briefly describe a computer program, Jamberoo, which can be used for creating 3D-PDF documents and demonstrate several simple examples of integrated 3D models within the PDF. Finally, we show some possibilities of Acrobat JavaScript programming for creating dynamic 3D-PDF content with the elements of the Graphical User Interface (GUI).

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Acknowledgments

The author is thankful to Prof. Feng Wang, Dr. David G. Barnes and Dr. Christopher J. Fluke (Swinburne University of Technology, Melbourne) for bringing 3D PDF capabilities to his attention, and for openly discussing issues related to VRML and 3D PDF. The author is also thankful to Dr. Kevin Pulo (The Australian National University, Canberra) for useful discussions. The author is grateful to Dr. Margaret Kahn and Ms. Alison Scott (The Australian National University, Canberra) for helping in preparation of this manuscript.

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Correspondence to Vladislav Vasilyev.

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Dedicated to professor Sandor Suhai on the occasion of his 65th birthday and published as part of the Suhai Festschrift Issue.

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Vasilyev, V. Towards interactive 3D graphics in chemistry publications. Theor Chem Acc 125, 173–176 (2010). https://doi.org/10.1007/s00214-009-0636-7

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