Open AccessSPINE workshop on automated X‐ray analysis: a progress report
Author(s) -
Bahar M.,
Ballard C.,
Cohen S. X.,
Cowtan K. D.,
Dodson E. J.,
Emsley P.,
Esnouf R. M.,
Keegan R.,
Lamzin V.,
Langer G.,
Levdikov V.,
Long F.,
Meier C.,
Muller A.,
Murshudov G. N.,
Perrakis A.,
Siebold C.,
Stein N.,
Turkenburg M. G. W.,
Vagin A. A.,
Winn M.,
Winter G.,
Wilson K. S.
Publication year - 2006
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444906032197
Subject(s) - automation , software , software engineering , computer science , throughput , engineering , data science , mechanical engineering , operating system , wireless
The Structural Proteomics In Europe (SPINE) consortium contained a workpackage to address the automated X‐ray analysis of macromolecules. The aim of this workpackage was to increase the throughput of three‐dimensional structures while maintaining the high quality of conventional analyses. SPINE was able to bring together developers of software with users from the partner laboratories. Here, the results of a workshop organized by the consortium to evaluate software developed in the member laboratories against a set of bacterial targets are described. The major emphasis was on molecular‐replacement suites, where automation was most advanced. Data processing and analysis, use of experimental phases and model construction were also addressed, albeit at a lower level.