1. Crystallographic protein model-building on the web
- Author
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Reetal Pai, Kreshna Gopal, Thomas R. Ioerger, James C. Sacchettini, Erik McKee, Jacob Smith, and Tod D. Romo
- Subjects
Models, Molecular ,Statistics and Probability ,Electron density ,Protein Conformation ,Computer science ,Biochemistry ,Protein structure ,Sequence Analysis, Protein ,Side chain ,Computer Simulation ,Molecular Biology ,Throughput (business) ,chemistry.chemical_classification ,Internet ,Crystallography ,Protein molecules ,Process (computing) ,Proteins ,Computer Science Applications ,Amino acid ,Computational Mathematics ,Models, Chemical ,Computational Theory and Mathematics ,chemistry ,Protein model ,User interface ,Algorithms ,Software - Abstract
Summary: X-ray crystallography is the most widely used method to determine the 3D structure of protein molecules. One of the most difficult steps in protein crystallography is model-building, which consists of constructing a backbone and then amino acid side chains into an electron density map. Interpretation of electron density maps represents a major bottleneck in protein structure determination pipelines, and thus, automated techniques to interpret maps can greatly improve the throughput. We have developed WebTex, a simple and yet powerful web interface to TEXTAL, a program that automates this process of fitting atoms into electron density maps. TEXTAL can also be downloaded for local installation.Availability: Web interface, downloadable binaries and documentation atContact: textal@tamu.edu
- Published
- 2006
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