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David Leader (University of Glasgow, Glasgow, United Kingdom)
Standalone and web applications that query bioinformatics databases frequently provide the user with a graphical visualization of the results. In most such applications the user selects from form or menu options to make a query, and repeats this process to make subsequent queries prompted by the results. We describe an application which allows the user to perform what are, in effect, subsequent queries by making an interactive selection, which may be elliptical in shape, on the graphical image representing the results of the initial query. The application, Motif Dihedralizer, allows one to visualize the main chain (φ and ψ) and side-chain (χ1) dihedral angles in a set of peptides. We have used it both for studying small hydrogen-bonded motifs (e.g. beta turns) in our relational database (Motivated Proteins), and for analysing generated data relating to the termini of α-helices in proteins. One can select a particular area in the Ramachandran plot for one position in a motif, see the corresponding dihedral angle distribution at other positions, measure regression statistics in suitable instances, and save the selected group to disc or create a new ‘motif