ENSnano: DNA纳米结构的三维建模软件

IF 4.7 2区 生物学 Q1 GENETICS & HEREDITY
Mobile DNA Pub Date : 2021-01-01 DOI:10.4230/LIPIcs.DNA.27.5
N. Lévy, N. Schabanel
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引用次数: 3

摘要

自20世纪90年代以来,越来越复杂的纳米结构已经可靠地从自组装的DNA链中获得:从“简单的”2D形状到3D齿轮和铰接纳米物体,甚至计算结构。这些结构的成功组装依赖于它们的结构的微调,以匹配DNA螺旋的特殊几何形状。已经开发了各种软件来帮助设计师。这些软件基本上提供了四种工具:12个DNA螺旋的抽象表示(例如cadnano, scadnano, DNApen, 3DNA, hextiles);设计的3D视图(例如,13 vHelix, Adenita, oxDNAviewer);全自动设计(例如,BScOR,代达罗斯,珀迪克斯,塔洛斯,14雅典娜),通常致力于特定类型的设计,如线框折纸;和粗颗粒或热力学物理模拟(例如,oxDNA, MrDNA, SNUPI, Nupack, ViennaRNA,…)。MagicDNA结合了这些方法中的一些来简化可配置DNA折纸的设计。我们在将所有这些不同的方法和18种目的调和成一个可靠的GUI解决方案的方向上迈出了第一步:我们通用3D DNA纳米结构设计软件ENSnano的第一个完全可用的版本(从零开始设计到导出)。我们相信其直观,快速而强大的图形界面,结合2D和3D可编辑视图,可以快速精确地编辑DNA纳米结构。它还可以平滑地处理大型2D/3D结构的编辑,并从最常见的解决方案中导入。我们的软件扩展了cadnano中引入的23个网格的概念。网格允许抽象和连接设计的不同部分。ENSnano还提供了新的设计工具,大大加快了复杂的大型3D结构的设计,最值得注意的是:2D拆分视图,允许编辑复杂的3D结构,这些结构不能轻易地在2D视图中映射,以及复制,粘贴和重复功能,它利用网格来快速设计结构的大型重复块。ENSnano已经在实验中得到了验证,正如完全在ENSnano中设计的DNA折纸的AFM图像所证明的那样。ENSnano是一个轻量级的独立的单文件应用程序,可以在大多数操作系统(Windows 10, MacOS 10.13+和Linux)上无缝运行。Windows 31和MacOS的预编译版本已准备好在ENSnano网站上下载。在撰写本文时,我们的软件正在积极开发中,以在本文中讨论的各个方向扩展其能力。不过,它的3D和2D编辑界面已经达到了我们的可用性目标。由于其稳定性和易用性,我们相信当需要对更大的纳米结构进行精确编辑时,ENSnano已经可以集成到任何人的设计链中。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
ENSnano: A 3D Modeling Software for DNA Nanostructures
7 Since the 1990s, increasingly complex nanostructures have been reliably obtained out of self-assembled 8 DNA strands: from “simple” 2D shapes to 3D gears and articulated nano-objects, and even computing 9 structures. The success of the assembly of these structures relies on a fine tuning of their structure 10 to match the peculiar geometry of DNA helices. Various softwares have been developed to help 11 the designer. These softwares provide essentially four kind of tools: an abstract representation of 12 DNA helices (e.g. cadnano, scadnano, DNApen, 3DNA, Hex-tiles); a 3D view of the design (e.g., 13 vHelix, Adenita, oxDNAviewer); fully automated design (e.g., BScOR, Daedalus, Perdix, Talos, 14 Athena), generally dedicated to a specific kind of design, such as wireframe origami; and coarse grain 15 or thermodynamical physics simulations (e.g., oxDNA, MrDNA, SNUPI, Nupack, ViennaRNA,...). 16 MagicDNA combines some of these approaches to ease the design of configurable DNA origamis. 17 We present our first step in the direction of conciliating all these different approaches and 18 purposes into one single reliable GUI solution: the first fully usable version (design from scratch to 19 export) of our general purpose 3D DNA nanostructure design software ENSnano . We believe that 20 its intuitive, swift and yet powerful graphical interface, combining 2D and 3D editable views, allows 21 fast and precise editing of DNA nanostructures. It also handles editing of large 2D/3D structures 22 smoothly, and imports from the most common solutions. Our software extends the concept of 23 grids introduced in cadnano . Grids allow to abstract and articulated the different parts of a design. 24 ENSnano also provides new design tools which speeds up considerably the design of complex large 3D 25 structures, most notably: a 2D split view , which allows to edit intricate 3D structures which cannot 26 easily be mapped in a 2D view, and a copy, paste & repeat functionality, which takes advantage 27 of the grids to design swiftly large repetitive chunks of a structure. ENSnano has been validated 28 experimentally, as proven by the AFM images of a DNA origami entirely designed in ENSnano . 29 ENSnano is a light-weight ready-to-run independent single-file app, running seamlessly in most of 30 the operating systems (Windows 10, MacOS 10.13+ and Linux). Precompiled versions for Windows 31 and MacOS are ready to download on ENSnano website. As of writing this paper, our software is 32 being actively developed to extend its capacities in various directions discussed in this article. Still, 33 its 3D and 2D editing interface is already meeting our usability goals. Because of its stability and 34 ease of use, we believe that ENSnano could already be integrated in anyone’s design chain, when 35 precise editing of a larger nanostructure is needed.
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来源期刊
Mobile DNA
Mobile DNA GENETICS & HEREDITY-
CiteScore
8.20
自引率
6.10%
发文量
26
审稿时长
11 weeks
期刊介绍: Mobile DNA is an online, peer-reviewed, open access journal that publishes articles providing novel insights into DNA rearrangements in all organisms, ranging from transposition and other types of recombination mechanisms to patterns and processes of mobile element and host genome evolution. In addition, the journal will consider articles on the utility of mobile genetic elements in biotechnological methods and protocols.
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