UCSF Chimera, MODELLER, and IMP: An integrated modeling system

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UCSF Chimera, MODELLER, and IMP: An integrated modeling system

Yang, Zheng; Lasker, Keren; Schneidman-Duhovny, Dina; Webb, Ben; Huang, Conrad C.; Pettersen, Eric F.; Goddard, Thomas D.; Meng, Elaine C.; Sali, Andrej; Ferrin, Thomas E.

Journal of structural biology, 09/2012, Volume: 179, Issue: 3

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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.

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