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MOLREP: an Automated Program for Molecular Replacement

Vagin, A., Teplyakov, A.·1997·Journal of Applied Crystallography

Abstract

MOLREP is an automated program for molecular replacement which utilizes effective new approaches in data processing and rotational and translational searching. These include an automatic choice of all parameters, scaling by Patterson origin peaks and soft resolution cut-off. One of the cornerstones of the program is an original full-symmetry translation function combined with a packing function. Information from the model already placed in the cell is incorporated in both translation and packing functions. A number of tests using experimental data proved the ability of the program to find the correct solution in difficult cases.

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Metadata

Authors
Vagin, A., & Teplyakov, A.
Venue
Journal of Applied Crystallography
Published
1997-12-01
Volume
30
Issue
6
Pages
1022-1025
ISSN
0021-8898 (ISSN-L)
OpenAlex
W2097493124
Cited by
4,714
References
0
FWCI
4.25
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: MOLREP: an Automated Program for Molecular Replacement. https://app.cochat.ai/papers/10.1107/s0021889897006766
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Vagin, A., & Teplyakov, A. (1997). MOLREP: an Automated Program for Molecular Replacement. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889897006766

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Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.