ensemble comparison interface

Comparing Structure Ensembles

Comparing multiple ensembles of the same base structure to determine how similar the ensembles are, and exactly what the differerences are (if any) can be difficult unless tools geared to ensemble comparison are available. The above Chimera extension, called EnsembleMatch, is such a tool. It allows one ensemble to be compared member-by-member to another. One ensemble is considered the "base" ensemble, and can have its members spread (or "tiled") across the screen for ease of viewing. In the above image the base ensemble, colored cyan, has had its three members tiled across the screen. A comparison ensemble (here colored magenta) can be matched in any fashion to the members of the base ensemble. The control panel pictured above shows the RMSD values for each pair of structures and controls on-screen matching. It also allows manipulation of matched structures independent of other members of the ensemble, and enables zooming in on particular matches. Display and undisplay of particular structures is also easily controlled from the panel.

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