[Biopython] How to apply symmetry matrix on protein chains

[Fred Ludlow]

On 13 November 2014 14:07, Robert Campbell <robert.campbell at queensu.ca>
wrote:

>
> While it doesn't matter in this case because there is no translation in the
> BIOMT records of 1HRI, a more complete answer would be:
>
> coord = np.array([35.887,  31.402,  96.395])
> rotmat = np.array([[ 0.5,      -0.809017,  0.309017,  0.0],
>                    [ 0.809017,  0.30917,  -0.5,       0.0
>                    [ 0.309017,  0.5,       0.809017,  0.0]])
>
> rotated_coord = np.dot(rotmat[0:3,0:3],coord) + rotmat[:3,3]
>
> Cheers,
> Rob
>
>
D'oh, yup, what Rob said :)

Not sure about Bhushan's second question (deducing n-fold symmetry).
Naively you can look at the spacegroup, but there's clearly more going on
here - time to find a friendly crystallographer :) (hopefully one is
reading...?)

Fred
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