Difference between revisions of "MD simulation analysis TSD Journal"

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(Ramachandran plots)
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Back to [[MD simulation analysis TSD|results]].
 
Back to [[MD simulation analysis TSD|results]].
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=Trajectories=
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PNGs were created with [https://gist.github.com/3557863 createTrajectories.pml] and then combined into an animation with [https://gist.github.com/3557814 createAnim.sh].
   
 
=Ramachandran plots=
 
=Ramachandran plots=

Revision as of 21:27, 31 August 2012

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.