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
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,a
Hi Martin,
The following works for me, although I needed to change 'protein' to
'polymer'. Is 'protein' normally supported as a selection? It doesn't seem
to be in 1.4.1.
from pymol import cmd
cmd.fetch('1rx1')
a = cmd.get_extent('polymer')
print "a is",a
Hope that helps,
-Michael
On Tue, Apr
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?
what do you mean with "ordinary
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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