CRANK: new methods for automated macromolecular crystal structure solution.
CRANK is a novel suite for automated macromolecular structure solution and uses recently developed programs for substructure detection, refinement, and phasing. CRANK utilizes methods for substructure detection and phasing and combines them with existing crystallographic programs for density modification and automated model building in a convenient and easy-to-use CCP4i graphical interface. The data model used conforms to the XML eXtensible Markup Language specification and works as a common language to communicate data between many different applications inside and outside of the suite. The application of CRANK on various test cases has yielded promising results: with minimal user input, CRANK can produce better quality solutions over currently available programs.
Biophysical Structural Chemistry, Gorlaeus Laboratories, Leiden University, 2300 RA, Leiden, The Netherlands.
Steven R
SR
Ness
Rudolf A G
RA
de Graaff
Jan Pieter
JP
Abrahams
Navraj S
NS
Pannu
D003461:Crystallography; D015394:Molecular Structure; D011506:Proteins / Q000737:chemistry*; D012984:Software
D011506:Proteins