Chimera Image Gallery

Buckytube Simulation

buckytube simulation

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This image depicts a single frame of a molecular dynamics trajectory of a buckytube solvated in water. A 'lens' has been placed over the center of the tube to strip away the surface and reveal the hydrogen-bonded chain of waters passing through the tube. The lens could also have been used to show the water hydrogens and add the residue-number labels, but in this case it was done by hand so that the faintly-visible waters behind the tube would remain unchanged. The trajectory was computed with polarizable molecular dynamics using the Amber8 Sander module, and provided courtesy of J. Caldwell.

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