Untangle, a tool for filtering overlapping diffraction patterns from multicrystals.

TitleUntangle, a tool for filtering overlapping diffraction patterns from multicrystals.
Publication TypeJournal Article
Year of Publication2004
AuthorsButs, L., M-H. Dao-Thi, L. Wyns, and R. Loris
JournalActa Crystallogr D Biol Crystallogr
Volume60
IssuePt 5
Pagination983-4
Date Published2004 May
ISSN0907-4449
KeywordsBacterial Proteins, Bacterial Toxins, Crystallization, Crystallography, X-Ray, Image Processing, Computer-Assisted, Software
Abstract

Standard crystallographic data-processing protocols are based on single-crystal models; data from aggregates of multiple crystals with different orientations are difficult to process. In certain cases, it is possible to separately index the diffraction patterns from the dominant crystals in the aggregate. Untangle is a program designed to identify and eliminate overlapping spots from such patterns in order to improve data quality. The program has a Python core with a simple and highly portable graphical user interface, permitting visual verification of the process and interactive modification of the overlap threshold. The software is available under an open-source license.

DOI10.1107/S0907444904007048
Alternate JournalActa Crystallogr. D Biol. Crystallogr.
PubMed ID15103159