UCSF ChimeraX

UCSF ChimeraX (or simply ChimeraX) is the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), following UCSF Chimera. ChimeraX can be downloaded free of charge for academic, government, nonprofit, and personal use. Commercial users, please see ChimeraX commercial licensing.

ChimeraX is developed with support from National Institutes of Health R01-GM129325 and the Office of Cyber Infrastructure and Computational Biology, National Institute of Allergy and Infectious Diseases.

Feature Highlight

Coulombic Electrostatic Potential

Coulombic electrostatic potential (ESP) can be calculated and displayed with surface coloring using the command coulombic or the Molecule Display icon . No separate calculation or input ESP file is required. The image shows the first assembly defined for PDB 3eeb, the protease domain of a toxin from Vibrio cholerae, with the default Coulombic coloring: red-white-blue over the value range –10 to 10. For image setup other than orientation, see the command file coulombic.cxc.

For how to add a color key and associated label, see the Protein-Ligand Binding Sites tutorial.

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Example Image

Cyclodextrin Pore

The outer-membrane protein CymA admits bulky molecules into the periplasmic space of Klebsiella oxytoca. Here, CymA (PDB 4d5d chain A) is depicted in a style reminiscent of a diagnostic X-ray, with transparent molecular surface and β-strand “ribs” in white. The protein has ingested α-cyclodextrin (top) and β-cyclodextrin (bottom), bound at the entry site and near the exit, respectively. Cyclodextrin carbon atoms are shown in blue-gray and oxygen atoms in brick red. For image setup, see the command file xray.cxc.

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