PMID- 20057045
OWN - NLM
STAT- MEDLINE
DA  - 20100108
DCOM- 20100624
IS  - 1399-0047 (Electronic)
IS  - 0907-4449 (Linking)
VI  - 66
IP  - Pt 1
DP  - 2010 Jan
TI  - Molecular replacement with MOLREP.
PG  - 22-5
LID - 10.1107/S0907444909042589 [doi]
AB  - MOLREP is an automated program for molecular replacement that utilizes a number
      of original approaches to rotational and translational search and data
      preparation. Since the first publication describing the program, MOLREP has
      acquired a variety of features that include weighting of the X-ray data and
      search models, multi-copy search, fitting the model into electron density,
      structural superposition of two models and rigid-body refinement. The program can
      run in a fully automatic mode using optimized parameters calculated from the
      input data.
FAU - Vagin, Alexei
AU  - Vagin A
AD  - Structural Biology Laboratory, University of York, Heslington, York YO10 5YW,
      England. alexei@ysbl.york.ac.uk
FAU - Teplyakov, Alexei
AU  - Teplyakov A
LA  - eng
GR  - Biotechnology and Biological Sciences Research Council/United Kingdom
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20091221
PL  - England
TA  - Acta Crystallogr D Biol Crystallogr
JT  - Acta crystallographica. Section D, Biological crystallography
JID - 9305878
SB  - IM
MH  - Automatic Data Processing
MH  - Crystallization
MH  - Crystallography, X-Ray/*methods
MH  - Models, Chemical
MH  - Molecular Conformation
MH  - Search Engine
MH  - *Software
EDAT- 2010/01/09 06:00
MHDA- 2010/06/25 06:00
CRDT- 2010/01/09 06:00
PHST- 2009/07/09 [received]
PHST- 2009/10/13 [accepted]
PHST- 2009/12/21 [epublish]
AID - S0907444909042589 [pii]
AID - 10.1107/S0907444909042589 [doi]
PST - ppublish
SO  - Acta Crystallogr D Biol Crystallogr. 2010 Jan;66(Pt 1):22-5. doi:
      10.1107/S0907444909042589. Epub 2009 Dec 21.

PMID- 18094465
OWN - NLM
STAT- MEDLINE
DA  - 20071220
DCOM- 20080331
LR  - 20130903
IS  - 0907-4449 (Print)
IS  - 0907-4449 (Linking)
VI  - 64
IP  - Pt 1
DP  - 2008 Jan
TI  - Model preparation in MOLREP and examples of model improvement using X-ray data.
PG  - 33-9
AB  - The success of molecular replacement is critically dependent on the quality of
      the search model. Several model-preparation procedures are integrated in the
      molecular-replacement program MOLREP. These include model modification on the
      basis of amino-acid sequence alignment and model correction based on analysis of 
      the solvent-accessibility of the atoms. The packing function used in MOLREP for
      the translational search is explained in the context of model preparation. In
      difficult cases, bioinformatics-based modifications are not sufficient for
      successful molecular replacement. An approach implemented in MOLREP for solving
      cases with translational noncrystallographic symmetry is an example of model
      preparation in which analysis of X-ray data plays an essential role. In addition,
      two examples are presented in which the X-ray data were used to refine partial
      models for subsequent use in molecular replacement.
FAU - Lebedev, Andrey A
AU  - Lebedev AA
AD  - Structural Biology Laboratory, Department of Chemistry, University of York,
      Heslington, York YO10 5YW, England. lebedev@ysbl.york.ac.uk
FAU - Vagin, Alexei A
AU  - Vagin AA
FAU - Murshudov, Garib N
AU  - Murshudov GN
LA  - eng
GR  - 064405/Z/01/A/Wellcome Trust/United Kingdom
GR  - R01 GM069758-03/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PT  - Research Support, Non-U.S. Gov't
DEP - 20071205
PL  - Denmark
TA  - Acta Crystallogr D Biol Crystallogr
JT  - Acta crystallographica. Section D, Biological crystallography
JID - 9305878
RN  - 0 (Proteins)
SB  - IM
MH  - Algorithms
MH  - Amino Acid Sequence
MH  - *Computer Simulation
MH  - Crystallization
MH  - Crystallography, X-Ray/*methods
MH  - Models, Molecular
MH  - Proteins/chemistry/genetics
MH  - Sequence Alignment
MH  - *Software
MH  - Structural Homology, Protein
PMC - PMC2394799
OID - NLM: PMC2394799
EDAT- 2007/12/21 09:00
MHDA- 2008/04/01 09:00
CRDT- 2007/12/21 09:00
PHST- 2007/06/09 [received]
PHST- 2007/10/10 [accepted]
PHST- 2007/12/05 [epublish]
AID - S0907444907049839 [pii]
AID - 10.1107/S0907444907049839 [doi]
PST - ppublish
SO  - Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):33-9. Epub 2007 Dec 5.