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Journal Articles Journal of Chemical Information and Modeling Year : 2022

SURFMAP: A Software for Mapping in Two Dimensions Protein Surface Features

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Abstract

Molecular cartography using two-dimensional (2D) representation of protein surfaces has been shown to be very promising for protein surface analysis. Here, we present SURFMAP, a free standalone and easy-to-use software that enables the fast and automated 2D projection of either predefined features of protein surface (i.e., electrostatic potential, hydrophobicity, stickiness, and surface relief) or any descriptor encoded in the temperature factor column of a PDB file. SURFMAP proposes three different “equal-area” projections that have the advantage of preserving the area measures. It provides the user with (i) 2D maps that enable the easy and visual analysis of protein surface features of interest and (ii) maps in a text file format allowing the fast and straightforward quantitative comparison of 2D maps of homologous proteins.

Dates and versions

hal-03666330 , version 1 (12-05-2022)

Licence

Attribution - NonCommercial - NoDerivatives - CC BY 4.0

Identifiers

Cite

Hugo Schweke, Marie-Hélène Mucchielli, Nicolas Chevrollier, Simon Gosset, Anne Lopes. SURFMAP: A Software for Mapping in Two Dimensions Protein Surface Features. Journal of Chemical Information and Modeling, 2022, 62 (7), pp.1-7. ⟨10.1021/acs.jcim.1c01269⟩. ⟨hal-03666330⟩
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