RCN: Fiber Diffraction From Biological Polymers and Assemblies

该项目将创建一个网络，以协调生物纤维衍射方法的发展，特别是计算方法。许多生物分子集合体是长螺旋结构，具有形成纤维的自然倾向。这些纤维的结构研究很困难；常规的大分子结晶学通常是不可能的。然而，纤维衍射是一种确定此类组件结构细节的强大技术。活动将包括开发和整合生物纤维衍射软件，并通过务虚会、讲习班和公共网站交流有关纤维衍射方法的信息。软件应用程序将适应各种平台，与英国光纤衍射合作计算项目(CCP13)提供的一套程序相结合，并向科学界提供。在现有软件不足的地方，将开发新的软件。网络软件将与CCP13软件相辅相成；它们最终将涵盖生物纤维衍射的所有方面。该网络将把美国的光纤衍射组相互整合，并与世界光纤衍射界整合，特别是与CCP13的整合。这将通过核心参与者组织的讲习班，包括在Argonne国家实验室的BioCAT设施举办的讲习班，以及通过部分赞助美国晶体协会光纤衍射特别兴趣小组组织的会议，通过本科生、研究生和其他人参与讲习班和研究，以及通过加强研究和教育基础设施来实现。

This project will create a network to coordinate development of biological fiber diffraction methods, particularly computational methods. Many biological molecular assemblies are long helical structures, and have a natural tendency to form fibers. Structural studies of these fibers are difficult; conventional macromolecular crystallography is not usually possible. Fiber diffraction, however, is a powerful technique for determining the structural details of such assemblies. Activities will include development and integration of software for biological fiber diffraction, and exchange of information about fiber diffraction methods through retreats, workshops, and a public web site. Software applications will be adapted to various platforms, integrated with the suite of programs available through the British Collaborative Computational Project for Fibre Diffraction (CCP13), and made available to the scientific community. New software will be developed where existing software is inadequate. The network software will be complementary to CCP13 software; together, they will eventually cover all aspects of biological fiber diffraction. The network will integrate fiber diffraction groups in the USA with each other and with the world fiber diffraction community, particularly with CCP13. This will be done through workshops organized by the core participants, including workshops at the BioCAT facility at Argonne National Laboratory, and through partial sponsorship of sessions organized by the fiber diffraction Special Interest Group of the American Crystallographic Association.Broader impact will be through involvement of undergraduates, graduate students and others in the workshops and the research, and through enhancement of infrastructure for research and education.