SCAssign:: a sparky extension for the NMR resonance assignment of aliphatic side-chains of uniformly 13C,15N-labeled large proteins
SCAssign:: a sparky extension for the NMR resonance assignment of aliphatic side-chains of uniformly 13C,15N-labeled large proteins
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DOI：
10.1093/bioinformatics/btl477
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发表时间：
2006-11-15
期刊：
影响因子：
5.8
通讯作者：
Yang, Daiwen
中科院分区：
文献类型：
--
作者：
Zhang, Lei;Yang, Daiwen
SCAsign（侧链分配）是用 Python 编写的 Sparky 扩展，用于协助统一 C-13、N-15 标记的大蛋白质的脂肪族侧链的 NMR 共振分配。它基于我们实验室最近开发的总体策略，该策略利用 4D C-13、N-15 编辑的 NOESY、3D MQ-(H)CCmHm-TOCSY 和之前的骨干分配。该程序可以在 Sparky 可用的所有操作系统上运行，并且易于安装、设置和使用。它不仅可以加速分配过程，还可以在 4D NOESY 中分配弱 NOE，这在过去使用手动方法是非常困难的。 可用性：该程序以源代码的形式提供，可在 http://yangdw.science.nus.edu.sg/SCAsign 上免费下载。该网站还包含安装指南、用户手册和以 Flash 录制的演示。联系方式：错误报告、问题或意见应发送至 dbsydw@ nus.edu.sg。
SCAssign (side-chain assignment) is a Sparky extension written in Python to assist the NMR resonance assignment of aliphatic side-chains of uniformly C-13, N-15-labled large proteins. It is based on a general strategy recently developed in our laboratory that makes use of 4D C-13, N-15-edited NOESY, 3D MQ-(H)CCmHm-TOCSY, and prior backbone assignments. The program runs on all operating systems for which Sparky is available, and is easy to install, setup and use. Not only can it accelerate the assignment process, it also allows assignments of weak NOEs in 4D NOESY, which used to be very difficult with manual approach.Availability: The program, in the form of source code, is provided as free download at http://yangdw.science.nus.edu.sg/SCAssign. The website also contains installation guide, user manual and demonstrations recorded in Flash.Contact: Bug reports, questions or comments should be sent to dbsydw@ nus.edu.sg.