@article{Mann-Saunders:12,
author = {Mann, Martin and Saunders, Rhodri and Smith, Cameron and Backofen, Rolf and Deane, Charlotte M.},
title = {Producing high-accuracy lattice models from protein atomic co-ordinates including side chains},
journal = {Advances in Bioinformatics},
year = {2012},
doi = {10.1155/2012/148045},
volume = {2012},
user = {mmann},
pages = {6},
number = {Article ID 148045},
note = {MM and RS contributed equally to this work.},
issn = {1687-8027},
abstract = {Lattice models are a common abstraction used in the study of protein structure,
            folding, and refinement. They are advantageous because the discretisation of
            space can make extensive protein evaluations computationally feasible. Various
            approaches to the protein chain lattice fitting problem have been suggested but
            only a single backbone-only tool is available currently.
            We introduce LatFit, a new tool to produce high-accuracy lattice protein models.
            It generates both backbone-only and backbone-side-chain models in any user
            defined lattice. LatFit implements a new distance RMSD-optimisation fitting
            procedure in addition to the known coordinate RMSD method. The program is freely
            available for academic download and as a web-server:
            http://cpsp.informatik.uni-freiburg.de/LatFit/
            We tested LatFit's accuracy and speed using a large non-redundant set of high
            resolution proteins (SCOP database) on three commonly used lattices: 3D cubic,
            face-centred cubic, and knight's walk. Fitting speed compared favourably to
            other methods, and both backbone-only and backbone-side-chain models show low
            deviation from the original data about 1.5A RMSD in the FCC
            lattice). To our knowledge this represents the first comprehensive study of
            lattice quality for on-lattice protein models including side chains while
            LatFit is the only available tool for such models.}
}