Difference between revisions of "MD simulation analysis TSD Journal"

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(Created page with "Journal for == alice ==")
 
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Back to [[MD simulation analysis TSD|results]].
Journal for
 
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== alice ==
 
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=Ramachandran plots=
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At first the .xvg files were parsed into the following format:
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ID Psi Phi Aa
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1HMP:chain0:Pro5 -92.926842 12.941312 Proline
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1HMP:chain0:Gly6 65.796807 -162.229709 Glycine
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1HMP:chain0:Val7 -81.132082 121.413022 General
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Additionally the data for the background distribution was loaded from [http://www2.warwick.ac.uk/fac/sci/moac/people/students/peter_cock/r/ramachandran/#downloads|here].<br>
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Then the scipt [https://gist.github.com/3557539|draw_rama.R] was called.

Revision as of 20:09, 31 August 2012

Back to results.

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 loaded from [1].
Then the scipt [2] was called.