Thanks for the feedback. Yes, the idea was to expose the PyMOL function
to Python. I'll check out the relevant pages mentioned.
On 26.04.11 14:52, Hongbo Zhu wrote:
> 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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