Substitution matrix based color schemes for sequence alignment visualization

Abstract Background Visualization of multiple sequence alignments often includes colored symbols, usually characters encoding amino acids, according to some (physical) properties, such as hydrophobicity or charge. Typically, color schemes are created manually, so that equal or similar colors are ass...

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Main Authors: Patrick Kunzmann, Benjamin E. Mayer, Kay Hamacher
Format: Article
Language:English
Published: BMC 2020-05-01
Series:BMC Bioinformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s12859-020-3526-6
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author Patrick Kunzmann
Benjamin E. Mayer
Kay Hamacher
author_facet Patrick Kunzmann
Benjamin E. Mayer
Kay Hamacher
author_sort Patrick Kunzmann
collection DOAJ
description Abstract Background Visualization of multiple sequence alignments often includes colored symbols, usually characters encoding amino acids, according to some (physical) properties, such as hydrophobicity or charge. Typically, color schemes are created manually, so that equal or similar colors are assigned to amino acids that share similar properties. However, this assessment is subjective and may not represent the similarity of symbols very well. Results In this article we propose a different approach for color scheme creation: We leverage the similarity information of a substitution matrix to derive an appropriate color scheme. Similar colors are assigned to high scoring pairs of symbols, distant colors are assigned to low scoring pairs. In order to find these optimal points in color space a simulated annealing algorithm is employed. Conclusions Using the substitution matrix as basis for a color scheme is consistent with the alignment, which itself is based on the very substitution matrix. This approach allows fully automatic generation of new color schemes, even for special purposes which have not been covered, yet, including schemes for structural alphabets or schemes that are adapted for people with color vision deficiency.
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spelling doaj.art-de5b1fdd4b5a419897191a2f82a9acc42022-12-22T00:22:07ZengBMCBMC Bioinformatics1471-21052020-05-0121111210.1186/s12859-020-3526-6Substitution matrix based color schemes for sequence alignment visualizationPatrick Kunzmann0Benjamin E. Mayer1Kay Hamacher2Department of Computational Biology and Simulation, TU DarmstadtDepartment of Computational Biology and Simulation, TU DarmstadtDepartment of Computational Biology and Simulation, TU DarmstadtAbstract Background Visualization of multiple sequence alignments often includes colored symbols, usually characters encoding amino acids, according to some (physical) properties, such as hydrophobicity or charge. Typically, color schemes are created manually, so that equal or similar colors are assigned to amino acids that share similar properties. However, this assessment is subjective and may not represent the similarity of symbols very well. Results In this article we propose a different approach for color scheme creation: We leverage the similarity information of a substitution matrix to derive an appropriate color scheme. Similar colors are assigned to high scoring pairs of symbols, distant colors are assigned to low scoring pairs. In order to find these optimal points in color space a simulated annealing algorithm is employed. Conclusions Using the substitution matrix as basis for a color scheme is consistent with the alignment, which itself is based on the very substitution matrix. This approach allows fully automatic generation of new color schemes, even for special purposes which have not been covered, yet, including schemes for structural alphabets or schemes that are adapted for people with color vision deficiency.http://link.springer.com/article/10.1186/s12859-020-3526-6Open sourcePythonColor spaceOptimizationSequence alignment
spellingShingle Patrick Kunzmann
Benjamin E. Mayer
Kay Hamacher
Substitution matrix based color schemes for sequence alignment visualization
BMC Bioinformatics
Open source
Python
Color space
Optimization
Sequence alignment
title Substitution matrix based color schemes for sequence alignment visualization
title_full Substitution matrix based color schemes for sequence alignment visualization
title_fullStr Substitution matrix based color schemes for sequence alignment visualization
title_full_unstemmed Substitution matrix based color schemes for sequence alignment visualization
title_short Substitution matrix based color schemes for sequence alignment visualization
title_sort substitution matrix based color schemes for sequence alignment visualization
topic Open source
Python
Color space
Optimization
Sequence alignment
url http://link.springer.com/article/10.1186/s12859-020-3526-6
work_keys_str_mv AT patrickkunzmann substitutionmatrixbasedcolorschemesforsequencealignmentvisualization
AT benjaminemayer substitutionmatrixbasedcolorschemesforsequencealignmentvisualization
AT kayhamacher substitutionmatrixbasedcolorschemesforsequencealignmentvisualization