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Methods Enzymol. 2003;374:22-37.

SOLVE and RESOLVE: automated structure solution and density modification.

Author information

1
Los Alamos National Laboratory, Los Alamos, New Mexico 87545.

Abstract

SOLVE and RESOLVE have shown that it is possible to automate a significant part of the macromolecular X-ray structure determination process. The key elements of seamless and compatible subprograms, scoring algorithms, and error-tolerant software systems have been important in implementing these programs. The principles used in SOLVE and RESOLVE can be applied to other aspects of structure determination as well, suggesting that full automation of the entire structure determination process from scaling diffraction data to a refined model will be possible in the near future.

PMID:
14696367
DOI:
10.1016/S0076-6879(03)74002-6
[Indexed for MEDLINE]

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