Michael, My SEQCROW plugin should be able to load xyz trajectories. You will likely have to run the coordset command to see the movie player (e.g. 'coordset slider #1'). Tony On Thu, Jun 1, 2023, 11:19 AM Michael Patzschke via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:

Dear colleagues,

I would like to use the MolecularDynamicsViewr more often. My problem is, that I work with small metal organic systems and we never generate pdf files. What I do get a loot are multiple .xyz files. In these files the different images are just put one after the other without any extra new line or anything.

Here are the first few lines from the optimisation “trajectory” for water as created by orca:

3 Coordinates from ORCA-job h2o E -76.051642020209 H 1.200000 0.000000 1.000000 H -1.200000 0.000000 1.000000 O 0.000000 0.000000 0.000000 3 Coordinates from ORCA-job h2o E -76.099647985008 H 1.102275 0.000000 0.980787 H -1.102275 0.000000 0.980787 O -0.000000 0.000000 0.038425 3 Coordinates from ORCA-job h2o E -76.150106142663 H 1.008335 0.000000 0.959926 H -1.008335 0.000000 0.959926 O 0.000000 0.000000 0.080147

Would it be possible to enhance the MolecularDynamicsViewr to accept such files?

Thank you very much for your time and effort.

Kind regards, Michael _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Manage subscription: