Computational and Visualization Techniques for Structural Bioinformatics Using Chimera

ISBN-13: 9781439836613 / Angielski / Twarda / 2014 / 461 str.

Forbes J. Burkowski

Opis

A Step-by-Step Guide to Describing Biomolecular Structure Computational and Visualization Techniques for Structural Bioinformatics Using Chimera shows how to perform computations with Python scripts in the Chimera environment. It focuses on the three core areas needed to study structural bioinformatics: biochemistry, mathematics, and computation. Understand Important Concepts of Structural Bioinformatics The book covers topics that deal primarily with protein structure and includes many exercises that are grounded in biological problems at the molecular level. The text encourages mathematical analysis by providing a firm foundation for computations. It analyzes numerous Python scripts for the Chimera environment, with the scripts and other material available on a supplementary website. Build Python Scripts to Extend the Capabilities of Chimera Through more than 60 exercises that involve the development of Python scripts, the book gives you concrete guidance on using the scripting capabilities of Chimera. You ll gain experience in solving real problems as well as understand the various applications of linear algebra. You can also use the scripts as starting points for the development of similar applications and use classes from the StructBio toolkit for computations, such as structure overlap, data plotting, scenographics, and display of residue networks."

Spis treści

Introduction: Macromolecules and Chimera. Accessing and Displaying Molecular Data with Chimera. Algorithms Dealing with Distance. Algorithms Dealing with Angles. Structure Overlap and Alignment. Potential Energy Functions. Rotamers and Side‑Chain Conformation. Residue Networks. Appendices. Index.

O autorze

Forbes Burkowski is a professor of computer science at the University of Waterloo in Ontario, Canada.