Hi Jarrett, Thank you very much for the fix, it works perfectly.
Best regards, Istvan On Wed, Jul 19, 2023 at 9:02 PM Jarrett Johnson < jarrett.john...@schrodinger.com> wrote: > Hi Istvan, > > I can reproduce the same issue. Seems to be some unintended behavior with > how this multistate pseudoatom object is created. I've attached a modified > center_of_mass.py script so that it should behave the way you expect. Let > me know if this works for you. > > Example that I tried with this: > > fetch 1nmr > run center_of_mass_states_joined.py > com 1nmr, object=COM > wizard distance > # created distances between traj atom and pseudoatom > > Hope that helps, > Jarrett J. > > On Tue, Jul 18, 2023 at 12:52 PM Istvan Kolossvary <ikolos...@gmail.com> > wrote: > >> Hi, >> >> I have a simulation trajectory loaded in Pymol and I want to display >> certain interatomic distances interactively. This works perfectly fine with >> normal atoms, I can see how these selected distances change over the course >> of the simulation using the wizard and playing the movie. However, it seems >> that this feature doesn't work with pseudo atoms. I defined a couple of >> center-of-mass pseudo atoms using this script >> http://www.pymolwiki.org/index.php/center_of_mass. The script creates >> separate objects corresponding to the different COMs and each COM object >> has the same number of states as the trajectory object. I can use the >> wizard, select the distances, which show on the display, but when I play >> the movie, the distance values are not updated while the pseudo atoms do >> move around. The first thing I figured was that maybe the COM objects >> should be merged in a single object. So, I did that but to no avail, the >> distances are not updated while I play the movie. I must be overlooking >> something, can you tell me why this is not working? >> >> Thank you very much, >> >> Istvan >> _______________________________________________ >> PyMOL-users mailing list >> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net >> Unsubscribe: >> https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > > > -- > > *Jarrett Johnson* | Senior Developer, PyMOL > >
_______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
