you can write your own loop in python to implement the function.
fh = open(pdbfilename)
coords =
numpy.array([[float(line[30:38]),float(line[38:46]),float(line[46:54])]
for line in fh.readlines() if line.startswith('ATOM ') or
line.startswith('HETATM')])
fh.close()
extent = (numpy.min(coords,axis=0), numpy.max(coords,axis=0))
or course the code needs to be tuned if you need only the first MODEL or
only the first alternate position etc.
cheers,hongbo
On 04/26/2011 01:40 PM, Martin Hediger wrote:
> Dear all
>
> I found that PyMOL offer the cmd.get_extent('protein') function, which
> returns the dimensions of the selection.
> Is it complicated to make this function available from within an
> ordinary Pythonscript?
>
> Thanks for hints.
> Martin
>
>
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