CMLSnap: Animated reaction mechanisms
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Authors
Holliday, GL
Mitchell, JBO
Murray-Rust, Peter
Publication Date
2004-10-26Journal Title
INTERNET J CHEM
ISSN
1099-8292
Language
en_GB
Type
Article
Metadata
Show full item recordCitation
Holliday, G., Mitchell, J., & Murray-Rust, P. (2004). CMLSnap: Animated reaction mechanisms. INTERNET J CHEM http://www.dspace.cam.ac.uk/handle/1810/746
Abstract
Reactions with many steps can be represented by a single XML-based table of the atoms, bonds and electrons. For each step the complete Chemical Markup Language1 representation of all components is given. These snapshots can then be combined to give an animated description of the complete reaction, both in "2D" chemical structure diagrams and in three dimensions. Here we demonstrate the method's power with enzymatic reactions.
Keywords
chemistry, animation, markup languages, CML, XML, SVG, CMLSnap, reaction mechanism
Identifiers
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/746
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