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Bigginlab edited this page Jun 7, 2018 · 5 revisions

Welcome to the lintools wiki!

LINTools displays the dynamic interactions between protein residues and ligand atoms in the form a convenient 2D plot that summarizes the time-dependent interactions obtained by analysis of one or more trajectory files.

A particularly useful feature is the generation of so-called "clock" plots which allow the % interaction time to be visualised as an individual ring per trajectory. The following is an example of such a plot that is derived from the analysis of 5 independent trajectories (note the different coloured rings):

The interaction is principally done on proximity (so one has an idea of what residues in the binding pocket are interacting with the ligand). The presence of hydrogen bonds that exists for more than a certain amount of time is indicated by a dashed line.

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