An algorithm for automatically generating protein topology cartoons

• Published in: Protein engineering Vol. 7; no. 1; p. 31
• Main Authors: Flores, T P, Moss, D S, Thornton, J M
• Format: Journal Article
• Language: English
• Published: England 01-01-1994
• Subjects: Algorithms; Computer Graphics; Models, Molecular; Protein Structure, Secondary; Protein Structure, Tertiary
• ISSN: 0269-2139
• DOI: 10.1093/protein/7.1.31

An algorithm is described for automatically generating protein topology cartoons. This algorithm optimally places circles and triangles depicting alpha-helices and beta-strands respectively giving a pictorial topological summary of any protein structure. beta-Sheets, sandwiches and barrels are automatically identified and represented using special templates. The output from this algorithm may be controlled by adjustment of variable weights during the optimization step giving a preferred result. The rules for generating protein toplogy cartoons, including consideration of the handedness of local structure motifs, are discussed. The design of this algorithm is completely general and is easily adapted to include further rules that dictate the generation of the cartoons.