Re: [PyMOL] storing 3d vectors in python

[Tsjerk W. <ts...@gm...>]

Hi Bharat,

Not exactly a Pymol question, is it? But in case you're using a list of
simple vectors as tuples or lists you can easily add them the Python way,
provided that the list is not too long (or it'll be slow):

vecs = [(a,b,c),(d,e,f),...]
v = [sum(i) for i in zip(vecs)]

Alternatively, you can use numpy, or use (rosetta.numeric):

import numpy
arr = numpy.array(vecs)
v = arr.sum(axis=0)

Hope it helps,

Tsjerk




On Mon, May 6, 2013 at 9:01 AM, bharat gupta <bha...@gm...>wrote:

> Dear Members,
>
>
> I want to know that how can I store a 3d vector in to list , so that I can
> add them and final create a  single vector out of the list. For eg.
>
> vec1 = ( 3.281000000000001    -0.02150000000000318     -0.572500000000001
> ) + ( 3.072000000000000     0.03000000000000114     -0.934499999999999) +
> (3.003500000000000      0.4934999999999974      -1.14699999999999)
>
> vec2 = (  -3.496000000000000     -0.7375000000000114
> 0.0164999999999970 ) + (-3.439000000000000      0.1749999999999972
>  0.491999999999997)  +  (-1.611000000000000      -1.171500000000002
> 2.75350000000000)
>
> Finally I want to add those single vectors for each vec1 and vec2 to get
> two final vectors. These vectors I got from pyrosetta. When I try to append
> them to list I get an output like this :-
>
> [<rosetta.numeric.__numeric_all_at_once_.xyzVector_double object at
> 0x0AE068A0>, <rosetta.numeric.__numeric_all_at_once_.xyzVector_double
> object at 0x
> 0AE068F0>, <rosetta.numeric.__numeric_all_at_once_.xyzVector_double object
> at 0x0AE06850>]
>
> --
> Bharat
>
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.