THESEUS: maximum likelihood superpositioning and analysis of macromolecular structures.
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ABSTRACT:
SUBMITTER: Theobald DL
PROVIDER: S-EPMC2584349 | biostudies-literature | 2006 Sep
REPOSITORIES: biostudies-literature
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THESEUS: maximum likelihood superpositioning and analysis of macromolecular structures.
Theobald Douglas L DL Wuttke Deborah S DS
Bioinformatics (Oxford, England) 20060615 17
<h4>Unlabelled</h4>THESEUS is a command line program for performing maximum likelihood (ML) superpositions and analysis of macromolecular structures. While conventional superpositioning methods use ordinary least-squares (LS) as the optimization criterion, ML superpositions provide substantially improved accuracy by down-weighting variable structural regions and by correcting for correlations among atoms. ML superpositioning is robust and insensitive to the specific atoms included in the analysi ...[more]
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