Abstract
Essential dynamics(ED) is a useful method for analyzing trajectories generated by molecular dynamics (MD), but current tools are awkward to use, limiting the usefulness of the technique. This paper describes a new interactive graphical interface for visualization of ED results, including filtering a trajectory on an arbitrary set of eigenvectors and manipulation of a structure's projection along any eigenvector.
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Mongan, J. Interactive essential dynamics. J Comput Aided Mol Des 18, 433–436 (2004). https://doi.org/10.1007/s10822-004-4121-z
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DOI: https://doi.org/10.1007/s10822-004-4121-z