How far are we from automatic crystal structure solution via molecular-replacement techniques?
Acta Crystallogr D Struct Biol
; 76(Pt 1): 9-18, 2020 Jan 01.
Article
in En
| MEDLINE
| ID: mdl-31909739
ABSTRACT
Although the success of molecular-replacement techniques requires the solution of a six-dimensional problem, this is often subdivided into two three-dimensional problems. REMO09 is one of the programs which have adopted this approach. It has been revisited in the light of a new probabilistic approach which is able to directly derive conditional distribution functions without passing through a previous calculation of the joint probability distributions. The conditional distributions take into account various types of prior information in the rotation step the prior information may concern a non-oriented model molecule alone or together with one or more located model molecules. The formulae thus obtained are used to derive figures of merit for recognizing the correct orientation in the rotation step and the correct location in the translation step. The phases obtained by this new version of REMO09 are used as a starting point for a pipeline which in its first step extends and refines the molecular-replacement phases, and in its second step creates the final electron-density map which is automatically interpreted by CAB, an automatic model-building program for proteins and DNA/RNA structures.
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Protein Conformation
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Software
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Nucleic Acids
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Proteins
/
Nucleic Acid Conformation
Language:
En
Journal:
Acta Crystallogr D Struct Biol
Year:
2020
Document type:
Article
Affiliation country:
Italy