Hi Rino, As far as I know, ChimeraX does not read/show these transition moments directly from ORCA or Gaussian output. There might be something like that in the SEQCROW bundle, but somebody else would have to respond about that. You can create 3D objects arbitrarily using either: (1) a simple file format, BILD. It includes arrows and other shapes. You have to create the file separately in a text editor and then open it in ChimeraX. The format is explained here, with links to example files: <https://rbvi.ucsf.edu/chimerax/docs/user/formats/bild.html> (2) the "shape" command, which does not require a separate file. It doesn't have an arrow but you could try making one with cylinder + cone. <https://rbvi.ucsf.edu/chimerax/docs/user/commands/shape.html> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 28, 2023, at 5:47 AM, gennaro.pescitelli--- via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Dear developers,
first of all, thnak you for your great software, I just started using it. My question: is there a way to plot transition moments (electric and magnetic), as calculated e.g. by TD-DFT calculations in ORCA or Gaussian? If not directly from a log/out file, is tehre a way to manually add a vector arrow?
Thanks
Rino Pescitelli