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Molecular Rift: Virtual Reality for Drug Designers

Norrby, Magnus; Grebner, Christoph; Eriksson, Joakim LU and Bostrom, Jonas (2015) In Journal of Chemical Information and Modeling 55(11). p.2475-2484
Abstract
Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to... (More)
Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Information and Modeling
volume
55
issue
11
pages
2475 - 2484
publisher
The American Chemical Society
external identifiers
  • wos:000365465400017
  • scopus:84947967391
ISSN
1549-960X
DOI
10.1021/acs.jcim.5b00544
language
English
LU publication?
yes
id
eb899e8f-b0e7-4739-9026-f033d77a4bbb (old id 8539728)
date added to LUP
2016-01-20 12:21:06
date last changed
2017-11-12 03:13:08
@article{eb899e8f-b0e7-4739-9026-f033d77a4bbb,
  abstract     = {Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub.},
  author       = {Norrby, Magnus and Grebner, Christoph and Eriksson, Joakim and Bostrom, Jonas},
  issn         = {1549-960X},
  language     = {eng},
  number       = {11},
  pages        = {2475--2484},
  publisher    = {The American Chemical Society},
  series       = {Journal of Chemical Information and Modeling},
  title        = {Molecular Rift: Virtual Reality for Drug Designers},
  url          = {http://dx.doi.org/10.1021/acs.jcim.5b00544},
  volume       = {55},
  year         = {2015},
}