Steering Chemistry in the Right Direction!
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2007Pay-Per-View via TIB Hannover:
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The development of novel molecular visualization and computational steering applications is described in this paper. Improvements to the Molecular Visualizer application, jointly developed between the schools of Chemistry and Informatics are firstly described. The effectiveness of an alternative approach utilising Perl scripting capabilities within the recent commercial release of Materials Studio 4.1 (Accelrys Plc.) will be demonstrated using specific examples. The development of simple, novel, proof-of-concept computational steering applications are also described.
BibTeX
@inproceedings {10.2312:LocalChapterEvents:TPCG:TPCG07:243-250,
booktitle = {Theory and Practice of Computer Graphics},
editor = {Ik Soo Lim and David Duce},
title = {{Steering Chemistry in the Right Direction!}},
author = {Davies, R. A.},
year = {2007},
publisher = {The Eurographics Association},
ISBN = {978-3-905673-63-0},
DOI = {10.2312/LocalChapterEvents/TPCG/TPCG07/243-250}
}
booktitle = {Theory and Practice of Computer Graphics},
editor = {Ik Soo Lim and David Duce},
title = {{Steering Chemistry in the Right Direction!}},
author = {Davies, R. A.},
year = {2007},
publisher = {The Eurographics Association},
ISBN = {978-3-905673-63-0},
DOI = {10.2312/LocalChapterEvents/TPCG/TPCG07/243-250}
}