Dynamic contact maps of protein structures.
The two-dimensional contact map of interresidue distances is a visual analysis technique for protein structures. We present two standalone software tools designed to be used in combination to increase the versatility of this simple yet powerful technique. First, the program Structer calculates contact maps from three-dimensional molecular structural data. The contact map matrix can then be viewed in the graphical matrix-visualization program Dotter. Instead of using a predefined distance cutoff, we exploit Dotter's dynamic rendering control, allowing interactive exploration at varying distance cutoffs after calculating the matrix once. Structer can use a number of distance measures, can incorporate multiple chains in one contact map, and allows masking of user-defined residue sets. It works either directly with PDB files, or can use the MMDB network API for reading structures.
Sonnhammer
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Computational Biology Branch, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA.
Wootton
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JC
D003198:Computer Simulation; D004167:Diphtheria Toxin / Q000737:chemistry; D000949:Histocompatibility Antigens Class II / Q000737:chemistry; D006801:Humans; D008958:Models, Molecular; D011487:Protein Conformation; D012984:Software
D004167:Diphtheria Toxin; D000949:Histocompatibility Antigens Class II