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
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
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
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 =
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 =
