How far are we from automatic crystal structure solution via molecular-replacement techniques?

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 rota

SUBMITTER: Burla MC 

PROVIDER: S-EPMC6939436 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature