[gmx-users] angle between two domains connected at a hinge

[andrea spitaleri]

Hi,
have look to the orient package for vmd:

http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/orient/

In the vmd script repository there is also a python script:

http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/fit_angle/

I have done a script using orient which calculate the angle between the principal axes of two 
selections. It is very "rough" but is does what you are asking. if you need it contact me

and

On 07/15/2011 03:37 PM, maria goranovic wrote:
> There must be several tools to calculate the angle between two domains connected at a hinge. I was
> wondering if someone has suggestions on any tools, or whether it is possible to do this using a vmd
> plugin directly for a trajectory? IN my case, I have a reasonable good idea where the hinge is. I
> was wondering if the angle between the principal axes of the domains would be good enough? For
> example, if the domains were two discs attached to a common hinge, how can I find the vector from
> the hinge in the direction of each disc?�
>
> �
>
>
> --�
> Maria G.
> Technical University of Denmark
> Copenhagen
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen

-- 
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Andrea Spitaleri PhD
Dulbecco Telethon Institute c/o Raffaele Scientific Institute
Biomolecular NMR Laboratory Dibit2 Basilica 3A2
Via Olgettina 58
20132 Milano
Italy
Tel: 0039-0226434348
Fax: 0039-0226434153
http://sites.google.com/site/andreaspitaleri/
http://www.linkedin.com/in/andreaspitaleri
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