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Tool for visualizing protein secondary structure trajectories from gmx dssp's ss.dat files, inspired by a ResearchGate query.

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stuartmac/gmx-dssp-analysis

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Gromacs DSSP Analysis

This repository was created in response to a question on ResearchGate. The researcher wanted to plot a trajectory of the secondary structure provided by gmx dssp. They supplied the ss.dat file, which contains the secondary structure information for each frame of the trajectory. The file looks like this:

~HHHHHHHHHHHTTS~~~EEESSSTTPPEEEEEEEEEE~SS~EEEEEE...
~HHHHHHHHHHHGGG~~~EEESSSTTPPP~EEEEEEEE~SS~EEEEEE...
~HHHHHHHHHHHGGG~~~EEESSSTTPPP~EEEEEEEESSS~EEEEEE...
~HHHHHHHHHHTTTTT~~EEESS~TTS~~~EEEEEEEESSS~EEEEEE...
~HHHHHHHHHHSTTTT~~EEESS~TTSPPPEEEEEEEE~SS~EEEEEE...
~HHHHHHHHHHSTTTT~~EEESSSTTS~~~EEEEEEEESSS~EEEEEE...
~HHHHHHHHHHSTTTT~~EEESS~TT~~~~EEEEEEEE~SS~EEEEEE...

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Tool for visualizing protein secondary structure trajectories from gmx dssp's ss.dat files, inspired by a ResearchGate query.

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