Dear Suneel Kumar,
2009/10/26 Suneel Kumar Bommisetty :
> Dear All,
>
>
>
> I am looking for script for “object find” In pymol. I have a sd file
> contains 20 molecules. I have loaded into pymol. If I want visualize next
> molecule, I need to press Play or forward or disply – sequence function.
Sean,
Unfortunately, there isn't any way at present to directly expose PyMOL's
internal C coordinate array to Python in an accessible form. Yes,
iterate_state and alter_state are highly inefficient - it would make
more sense to provide a means of exporting and re-importing coordinate
sets via
Warren,
I was trying to write a script that would read in CHARMM trajectory files (DCD)
specifically for users who do not have access to the most current version of
PyMOL. I have written a Python script that will interpret a DCD file and load
it into the corresponding object but this process
Eep -- I go away for a few days & look what happens! :)
Seth: you got my original point exactly -- thank you for the well worded
explication!
Tsjerk & Warren: thank you for the explanation of the "under-the-hood" workings
of the render engine It may very well be more effort than it's wo
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
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
Dea
