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Dear Justin,
For example, In hemoglobin (A-H helix), the particular E and F helix gets moved
during the MD simulation, I would like to calculate this helix
movements/rotation angle? Thanks.
Dear all,
>
> I have been trying to calculate and plot the secondary structure of helix
> movements during the simulation on time through g_helix, g_helix orient,
> g_principle and g_mindist but none of them shown the helix movements.
>
> Is there any other tool can elaborate the helix movements ? Plz suggestion
> are appreciated.
>
You'll have to define what you mean by "helix movements." Everything moves in a
simulation, but what is it that you're trying to quantify? If it's secondary
structure itself, use do_dssp. If you're after something else, you will have to
be more specific.
-Justin
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