Indiana University Molecular Structure Center.
Chemistry, A421, Indiana University,
800 E, Kirkwood Ave., Bloomington, IN
47405-7102, 812.855.6821
Crystallographic Informatics
Informatics studies the way people work with and use information and the technical, psychological, and social aspects of information technology.
Informatics is the process of learning how to gain information, and thus knowledge, from data using information technology. X-ray crystallography provides an excellent discipline for informatics research. The field is data intensive; requires advanced computing techniques in the collection, storage, and analysis of raw data; is highly dependent on visualization for interpretation of the final results; has complex database requirements; and the results of crystallographic research are potentially useful not only to research scientists, but to educators and students at all levels from K to 16.
The Informatics Research Institute has picked Crystallographic Informatics as one of its first "focus areas".
The following are examples of crystallographic informatics research in progress at Indiana University. These projects involve researchers from the Department of Chemistry, Computer Science Department, School of Library and Information Science, School of Education, and the research staff of the University Information Technology Services.
Distributed Databases (Reciprocal Net)
Molecular Visualization (XMView/CMView/WMView)
Remote Access to Instrumentation (Telepresence)
Collaboration Systems (XPort Collaboratory)
High Speed Data Transport and Storage (AVIDD)
Cluster Computing (IUMSC Beowulf system)
Computational Steering (Crystallographer in a Box)
Laboratory Information Management Systems for Crystallography
Several of these systems were demonstrated at SuperComputing2001 in November. A photo gallery of the exposition is available.
Overview Welcome What's New Annual Reports Virtual Laboratory Tour Live Video System Radiation Safety Staff Overview SCrAPS Reciprocal Net NMI CrystalGrid Overview About Server Instructions Data in the server Submitting Samples Current Rates User Manual Guide to New Interface SHORTEP Formula Abbreviations NPS Instruction Summary XTEL Program Library SHELX How to Access the Cambridge Structional Database(CSD) CSD Documentation Overview Browse Search What Will I Find? History of Crystal Data Server Educational Resource Example Page Overview XMView Beowulf Rendering JaMM ORTEP RasMol/Chime Rotate 3D Applet Overview Shape and Forms Isometric Crystal System Morphology of a sugar crystal Xmorph Applet Overview Reciprocal Net Molecular Visualization Remote Access to Instrumentation Collaboratory System High Speed Data Transport and Storage Cluster Computing Photo Gallery of SuperComputing 2001 Overview Crystallography Links IU Links
IU, Bloomington
Dept. of Chemistry
Chemistry Library
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