Dent_challenge_JPRMM

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  Monomer A of CLC5 antiporter

We tried to understand how the programs and tools Yvonne provided us work, since we were all new to them.

We followed all the steps and we came up with a need of simplifying the data, in order to focus only on some relations and speed up the running time of the script.

Specifically, we decided to focus on Chlorine-Carbon alpha interactions, by analyzing their positions throughout the different frames of the simulations.

After having extracted the frames, we have ran an extraction script written in Python, and then an analyzing script that extracted the closest Chlorine-Carbon alpha for each frame.

We discovered that they were basically vibrating, keeping always the same atoms as the result of the analysis, for each frame.

Due to the time we couldn't discover so much, but we hope it could be of inspiration for some further investigations.