Hello Michael,
Unfortunately, there is no programmatic way to get this information out of
PyMOL -- my apologies!
Cheers,
Warren
-----Original Message-----
From: Michael Zimmermann [mailto:micha...@iastate.edu]
Sent: Mon 10/26/2009 9:04 PM
To: pymol-users
Subject: [PyMOL] number of h-bonds
Dear PyMOL users,
I was using Action -> find -> polar interactions within selection
to get an idea about the hydrogen bonds and other polar interactions
in some molecules. I would like to compare different conformations of
a certain molecule and one metric could be the number of pair returned
by one of these distance evaluations. Could someone help me figure
out how to get routines like this to return the number of pairs that
they define? Alternatively, for the object that is returned, is there
a way to loop through the line objects or labels and count them?
Thank you.
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