软件
计算机科学
代表(政治)
投影(关系代数)
蛋白质数据库
曲面(拓扑)
蛋白质数据库
计算机图形学(图像)
栏(排版)
表面蛋白
数据挖掘
模式识别(心理学)
人工智能
蛋白质结构
化学
生物
算法
数学
几何学
程序设计语言
电信
生物化学
帧(网络)
病毒学
政治
政治学
立体化学
法学
作者
Hugo Schweke,Marie-Hélène Mucchielli,Nicolas Chevrollier,Simon Gosset,Anne Lopes
标识
DOI:10.1021/acs.jcim.1c01269
摘要
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.
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