UCSF Chimera、MODELLER 和 IMP：一个集成的建模系统。
UCSF Chimera, MODELLER, and IMP: an integrated modeling system.
机构信息
Resource for Biocomputing, Visualization, and Informatics, Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA 94158, USA.
出版信息
J Struct Biol. 2012 Sep;179(3):269-78. doi: 10.1016/j.jsb.2011.09.006. Epub 2011 Sep 22.
Abstract
Structural modeling of macromolecular complexes greatly benefits from interactive visualization capabilities. Here we present the integration of several modeling tools into UCSF Chimera. These include comparative modeling by MODELLER, simultaneous fitting of multiple components into electron microscopy density maps by IMP MultiFit, computing of small-angle X-ray scattering profiles and fitting of the corresponding experimental profile by IMP FoXS, and assessment of amino acid sidechain conformations based on rotamer probabilities and local interactions by Chimera.
摘要
大分子复合物的结构建模非常受益于交互式可视化功能。在这里，我们将几个建模工具集成到 UCSF Chimera 中。这些工具包括由 MODELLER 进行的比较建模、由 IMP MultiFit 同时将多个组件拟合到电子显微镜密度图中、计算小角度 X 射线散射轮廓和由 IMP FoXS 拟合相应的实验轮廓，以及基于构象可能性和局部相互作用的 Chimera 评估氨基酸侧链构象。
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