[Chimera-users] Fwd: Visualizing inertia axes as arrows

[Eric Pettersen]

Hi Miguel,
	Thanks for the corrections!  I just fired that one off without  
testing it.  I thought there might be an error or two.  I'm glad you  
find it useful after fixing it.

--Eric

Begin forwarded message:

> From: Miguel Ortiz Lombardía <miguel.ortiz-lombardia at afmb.univ-mrs.fr>
> Date: July 31, 2010 1:39:33 AM PDT
> To: Eric Pettersen <pett at cgl.ucsf.edu>
> Subject: Re: [Chimera-users] Visualizing inertia axes as arrows
>
> Hi Eric,
>
> Thanks for this useful script!
>
> I think I found two errors though:
>>
>> from chimera.selection import currentAtoms, numpyArrayFromAtoms
>
> should be:
>
> from chimera.selection import currentAtoms
> from chimera import numpyArrayFromAtoms
>
> and:
>
>> for val, vec in zip(vals, vecs):
>> bildString += ".arrow %g %g %g %g %g %g .1 .2 .9\n" % (
>> centroid[0], centroid[1], centroid[2],
>> centroid[0] + val[0] * vec[0],
>> centroid[1] + val[1] * vec[1],
>> centroid[2] + val[2] * vec[2])
>
> has to be:
>
> for val, vec in zip(vals, vecs):
>    bildString += ".arrow %g %g %g %g %g %g .5 1. .9\n" % (centroid[0],
> centroid[1], centroid[2], centroid[0] + val * scale * vec[0],
> centroid[1] + val * scale * vec[1], centroid[2] + val * scale *  
> vec[2])
>
> (you can ignore the scale thing, that's simply a 50/max(vals)  
> correction
> so the longest axis is 50 A)
>
> Best,
>
>
> -- 
> Miguel
>
> Architecture et Fonction des Macromolécules Biologiques (UMR6098)
> CNRS, Universités d'Aix-Marseille I & II
> Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
> Tel: +33(0) 491 82 55 93
> Fax: +33(0) 491 26 67 20
> e-mail: miguel.ortiz-lombardia at afmb.univ-mrs.fr
>
>
> -- 
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