REDCRAFT: a tool for simultaneous characterization of protein backbone structure and motion from RDC data.

ABSTRACT: REDCRAFT, a new open source software tool that accommodates the analysis of RDC data for simultaneous structure and dynamics characterization of proteins is presented in this article. Simultaneous consideration of structure and motion is believed to be necessary for accurate representation of the solution-state of a protein. REDCRAFT is designed to primarily utilize RDC data from multiple alignment media in two stages. During Stage-I, a list of possible torsion angles joining any two neighboring peptide planes is ranked based on their fitness to experimental constraints; in Stage-II, a dipeptide fragment is extended by addition of one peptide plane at a time. The algorithm adopted by REDCRAFT is very efficient and can produce a structure for an 80 residue protein within two hours on a typi

SUBMITTER: Bryson M 

PROVIDER: S-EPMC2728087 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature