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使用GlycanBuilder绘制各种复杂聚糖。

Implementation of GlycanBuilder to draw a wide variety of ambiguous glycans.

作者信息

Tsuchiya Shinichiro, Aoki Nobuyuki P, Shinmachi Daisuke, Matsubara Masaaki, Yamada Issaku, Aoki-Kinoshita Kiyoko F, Narimatsu Hisashi

机构信息

Graduate School of Engineering, Soka University, Tokyo, Japan.

Faculty of Science and Engineering, Soka University, Tokyo, Japan.

出版信息

Carbohydr Res. 2017 Jun 5;445:104-116. doi: 10.1016/j.carres.2017.04.015. Epub 2017 Apr 19.

Abstract

GlyTouCan version 1.0 was released in 2015 as the international glycan structure repository, and a new sequence format called WURCS (Web3 Unique Representation of Carbohydrate Structures) was proposed during the early stages of the GlyTouCan project. GlyTouCan uses WURCS as its base representation for glycans because existing formats were insufficient in their flexibility to represent any and all glycans universally. Therefore, in order to obtain WURCS strings for existing or new glycan structures, conversion tools or glycan structure editors that can export WURCS became necessary. GlycanBuilder was an obvious choice to extend due to its wide usage by the community. However, GlycanBuilder was limited because it was originally developed to support mammalian glycans. It also did not support the newly proposed monosaccharide symbol standard called Symbol Nomenclature for Glycans (SNFG). Therefore in this work, we implemented a new version of GlycanBuilder to greatly increase its usability. The glycan rendering system was refactored so that cyclic glycans, nested repeating units, monosaccharide compositions and cross-linked glycan structures can be represented. Both import and export utilities for WURCS were also implemented and SNFG symbols were incorporated to allow glycans to be exported as graphics using the latest glycan symbol nomenclature. This new version of GlycanBuilder called "GlycanBuilder2", is able to support a wide variety of ambiguous glycans, including structures containing monosaccharides from bacteria and plants. These glycans can also be displayed using the new SNFG symbols. This tool can aid researchers in communicating about the complex, diverse, and ambiguous structures of glycans more rapidly. Moreover, the new GlycanBuilder can now easily output WURCS sequences from glycans drawn on the canvas. Most importantly, because GlyTouCan employs WURCS as the basic format for registration and searching of glycan information, a wider variety of glycans can now be readily registered and queried in GlyTouCan.

摘要

GlyTouCan 1.0版本于2015年发布,作为国际聚糖结构储存库,并且在GlyTouCan项目的早期阶段提出了一种名为WURCS(碳水化合物结构的Web3唯一表示法)的新序列格式。GlyTouCan使用WURCS作为聚糖的基本表示形式,因为现有格式在普遍表示任何和所有聚糖的灵活性方面不足。因此,为了获得现有或新聚糖结构的WURCS字符串,能够导出WURCS的转换工具或聚糖结构编辑器变得必不可少。由于GlycanBuilder在社区中广泛使用,因此它是进行扩展的明显选择。然而,GlycanBuilder存在局限性,因为它最初是为支持哺乳动物聚糖而开发的。它也不支持新提出的名为聚糖符号命名法(SNFG)的单糖符号标准。因此,在这项工作中,我们实现了一个新版本的GlycanBuilder以大大提高其可用性。对聚糖渲染系统进行了重构,以便能够表示环状聚糖、嵌套重复单元、单糖组成和交联聚糖结构。还实现了WURCS的导入和导出实用程序,并纳入了SNFG符号,以便能够使用最新的聚糖符号命名法将聚糖导出为图形。这个名为“GlycanBuilder2”的新版本GlycanBuilder能够支持各种各样的模糊聚糖,包括含有来自细菌和植物的单糖的结构。这些聚糖也可以使用新的SNFG符号进行显示。这个工具可以帮助研究人员更快速地交流聚糖的复杂、多样和模糊的结构。此外,新的GlycanBuilder现在可以轻松地从画布上绘制的聚糖中输出WURCS序列。最重要的是,由于GlyTouCan采用WURCS作为聚糖信息注册和搜索的基本格式,现在可以在GlyTouCan中更容易地注册和查询更多种类的聚糖。

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