MD simulation analysis TSD Journal

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Revision as of 21:27, 31 August 2012 by Reeb (talk | contribs)

Back to results.

Trajectories

PNGs were created with createTrajectories.pml and then combined into an animation with createAnim.sh.

Ramachandran plots

At first the .xvg files were parsed into the following format:

ID                       Psi              Phi             Aa
1HMP:chain0:Pro5	-92.926842	12.941312	Proline
1HMP:chain0:Gly6	65.796807	-162.229709	Glycine
1HMP:chain0:Val7	-81.132082	121.413022	General

Additionally the data for the background distribution was downloaded from [1].
Then the scipt [2] was called.

Significance calculation

The p-value was computed with the script statTD.pl.