I was wandering what is your favorite viewer to open psi4/log files to see the structure (such as Avogadro, which however doesn’t open the files directly).
Sorry, if that’s an obvious one, but my keywords didn’t find an direct answer using the search function. Thanks a lot!
I am not aware of any graphical viewer that works with the output files.
But interested if anybody has info about this
UCSF ChimeraX can open Psi4 output files if you have my SEQCROW plugin. Psi4 output files are expected to have a .out or .dat extension. If yours have something else, you’ll have to rename them or use ChimeraX’s open command with “format out”.
SEQCROW can be installed by opening ChimeraX, going on the menu to Tools → More Tools…, finding the SEQCROW page, and clicking install. After installing, you’ll have to restart ChimeraX for the plugin to work completely.
Thanks, this was exactly what I was looking for!