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Resolve

Maximum-likelihood density modification





Tom Terwilliger, Los Alamos National Laboratory
What is resolve?
 Resolve is a program that improves electron density maps. 

Resolve uses a maximum-likelihood approach to combine experimental X-ray diffraction information with knowledge about the expected characteristics of an electron density map of a macromolecule. 

You can run resolve to improve your maps right after using SOLVE or another program to solve your structure.
 
How is resolve different than other density-modification programs?
 Resolve uses a new mathematical formulation to directly maximize the total likelihood of the phases. Other approaches rely on phase recombination where the optimal statistical weighting of experimental and modified phases is not known.
How can I get resolve?
 Anyone with a permanent SOLVE license can download a free version of resolve that includes maximum-likelihood solvent flattening and histogram matching.
What will resolve eventually be able to do?
 The full version of resolve (which is still in a development and testing phase) will use many more features of electron density maps (non-crystallographic symmetry, fragments of structure, partial model information) to improve and extend crystallographic phases.
How can I read more about resolve?
 The mathematics behind resolve and examples of its use are described in the article "Reciprocal-space solvent flattening," by T. C. Terwilliger appearing in Acta Crystallographica D 55, 1863-1871.
 
NOTICE: The Government is granted for itself and others acting on its behalf a paid-up, non-exclusive, irrevocable worldwide license in this data to reproduce, prepare derivative works, and perform publicly and display publicly. Beginning five (5) years after 2000, subject to two possible five year renewals, the Government is granted for itself and others acting on its behalf a paid-up, non-exclusive, irrevocable worldwide license in this data to reproduce, prepare derivative works, distribute copies to the public, perform publicly and display publicly, and to permit others to do so. NEITHER THE UNITED STATES NOR THE UNITED STATES DEPARTMENT OF ENERGY, NOR ANY OF THEIR EMPLOYEES, MAKES ANY WARRANTY, EXPRESS OR IMPLIED, OR ASSUMES ANY LEGAL LIABILITY OR RESPONSIBILITY FOR THE ACCURACY, COMPLETENESS, OR USEFULNESS OF ANY INFORMATION, APPARATUS, PRODUCT, OR PROCESS DISCLOSED, OR REPRESENTS THAT ITS USE WOULD NOT INFRINGE PRIVATELY OWNED RIGHTS. 
 
Last updated: 21-June-2000 (version 1.03)