MoSART: NMR-based Biomolecular Structure Computation

MoSART (Molecular Structure Analysis and Refinement Tool) is designed for computing biomolecular structure from NMR data. The goal of the project is to create an easily extensible package that will broaden the community of developers of new approaches to computation of biomolecular structure from NMR data. A key feature is support for low-resolution (two particles per residue for proteins, 3/4 particles per residue for nucleic acids) force fields, useful when geometrical restraints are sparse. These facilitate determination of the overall fold during early stages of an NMR investigation, or starting points for hierarchical structure determination. Future plans include additional support for low resolution geometrical constraints derived from NMR and chemical footprinting to support membrane protein structure determination. <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=105#pack_641">MoSART </a> : Molecular Structure Analysis and Refinement Tool </li> </ul>

MoSART（分子结构分析与优化工具）旨在从核磁共振（NMR）数据中计算生物分子结构。该项目旨在构建一个易于扩展的软件包，以拓宽从NMR数据计算生物分子结构的新方法开发者群体。其关键特性包括对低分辨率（蛋白质中每残基两个粒子，核酸中每残基3/4个粒子）力场的支持，这在几何约束较少的情况下尤为有用。这些特性有助于在NMR研究的早期阶段确定整体折叠或作为分层结构确定的起始点。未来计划包括对源自NMR和化学足迹的低分辨率几何约束的额外支持，以支持膜蛋白结构的确定。该项目包含以下软件/数据包：
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<li><a href="https://simtk.org/frs?group_id=105#pack_641">MoSART</a>：分子结构分析与优化工具
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