Bioinformatics Advance Access published online on December 8, 2005
Bioinformatics, doi:10.1093/bioinformatics/bti825
1 University of Illinois at Urbana-Champaign, Center for Biophysics and Computational Biology, 607 South Mathews Avenue, Urbana, IL 61801
* To whom correspondence should be addressed.
Multiple Alignment is a new interface for performing and analyzing multiple protein structure alignments. It enables viewing levels of sequence and structure similarity on the aligned structures and performing a variety of evolutionary and bioinformatic tasks, including the construction of structure-based phylogenetic trees and minimal basis sets of structures that best represent the topology of the phylogenetic tree. It is implemented as a plugin for VMD, which is distributed by the NIH Resource for Macromolecular Modeling and Bioinformatics at the University of Illinois. Availability: Both binary and source code downloads for VMD 1.83, which includes Multiple Alignment, are available from http://www.ks.uiuc.edu/Research/vmd/. The Multidimensional QR factorization algorithm is available at http://www.scs.uiuc.edu/~schulten/software.html.
Received July 29, 2005
Revised December 1, 2005
Accepted December 6, 2005
Applications note
Multiple Alignment of protein structures and sequences for VMD
John Eargle 1,
Dan Wright 2,
and
Zaida Luthey-Schulten 3 *
2 University of Illinois at Urbana-Champaign, Graduate School of Library and Information Sciences, 501 Daniel Street, Champaign, IL 61820; University of Illinois at Urbana-Champaign, Department of Chemistry, 505 South Mathews Avenue, Urbana, Illinois 61801
3 University of Illinois at Urbana-Champaign, Center for Biophysics and Computational Biology, 607 South Mathews Avenue, Urbana, IL 61801; University of Illinois at Urbana-Champaign, Department of Chemistry, 505 South Mathews Avenue, Urbana, Illinois 61801
Zaida Luthey-Schulten, E-mail: multiseq{at}scs.uiuc.edu
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