| dc.contributor.author | Davies, R. A. | en_US |
| dc.contributor.editor | Ik Soo Lim and David Duce | en_US |
| dc.date.accessioned | 2014-01-31T19:58:17Z | |
| dc.date.available | 2014-01-31T19:58:17Z | |
| dc.date.issued | 2007 | en_US |
| dc.identifier.isbn | 978-3-905673-63-0 | en_US |
| dc.identifier.uri | http://dx.doi.org/10.2312/LocalChapterEvents/TPCG/TPCG07/243-250 | en_US |
| dc.description.abstract | 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. | en_US |
| dc.publisher | The Eurographics Association | en_US |
| dc.subject | Categories and Subject Descriptors (according to ACM CCS): J.2 [Physical Sciences and Engineering]: Chemistry | en_US |
| dc.title | Steering Chemistry in the Right Direction! | en_US |
| dc.description.seriesinformation | Theory and Practice of Computer Graphics | en_US |
