Interactive visualization tools for the structural biologist

In structural biology, management of a large number of Protein Data Bank (PDB) files and raw X‐ray diffraction images often presents a major organizational problem. Existing software packages that manipulate these file types were not designed for these kinds of file‐management tasks. This is typical...

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Bibliographic Details
Published in:Journal of applied crystallography 2013-10, Vol.46 (5), p.1518-1520
Main Authors: Porebski, Benjamin T., Ho, Bosco K., Buckle, Ashley M.
Format: Article
Language:English
Subjects:
Computer Programs
Crystal structure
Crystallography
data management
Diffraction
Lists
Macintosh personal computers
PDB visualization
Proteins
Software packages
Visualization
X-ray diffraction images
X-rays
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Description
Summary:In structural biology, management of a large number of Protein Data Bank (PDB) files and raw X‐ray diffraction images often presents a major organizational problem. Existing software packages that manipulate these file types were not designed for these kinds of file‐management tasks. This is typically encountered when browsing through a folder of hundreds of X‐ray images, with the aim of rapidly inspecting the diffraction quality of a data set. To solve this problem, a useful functionality of the Macintosh operating system (OSX) has been exploited that allows custom visualization plugins to be attached to certain file types. Software plugins have been developed for diffraction images and PDB files, which in many scenarios can save considerable time and effort. The direct visualization of diffraction images and PDB structures in the file browser can be used to identify key files of interest simply by scrolling through a list of files.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S0021889813017858