Adrian, Cube files are handled by Chimerax's parser. Seqcrow can show orbitals from the orca plain text output (usually *.out) using its Orbital Viewer tool if the job was run with !printMOs printBasis or equivalent settings. In the External QM Utilities tool you can have it run orca_plot on your gbw files, which will often be faster if you know what orbitals you want to look at. I didn't notice they added intensities for anharmonic frequencies to the newer version of orca. I can get those to show in the IR plots soon. I'm not exactly sure what you mean for the selecting atoms to build and optimize systems. Can you expand on that a bit more? Best, Tony On Thu, Aug 20, 2026, 4:53 PM Adrian Tudini via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Thanks
Get Outlook for Android <https://aka.ms/AAb9ysg> ------------------------------ *From:* Tom Goddard <goddard@sonic.net> *Sent:* Friday, 21 August 2026 08:15:46 *To:* Adrian Tudini <ecovib2d@live.com> *Cc:* chimerax-users@cgl.ucsf.edu <chimerax-users@cgl.ucsf.edu> *Subject:* Re: [chimerax-users] Using ChimeraX for private research
Hi Adrian,
Have you tried the ChimeraX SEQCROW plugin (install with ChimeraX menu entry Tools / More Tools...)? It has capabilities to visualize ORCA results and setup ORCA runs. I don't know details of its capabilities. It was written by Tony Schaefer who sometimes reads this mailing list.
Tom
On Aug 20, 2026, at 1:37 PM, Adrian Tudini via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Hi
My name is Adrian and I am currently using ChimeraX for private research. In my use of ChimeraX, may I suggest some improvements for ChimeraX. If yes, they are listed below:
1. Currently ChimeraX displays a *.cube file with just one molecular orbital in it from ORCA 6.1.1 (processed by orca_plot). It would be nice if Chimera X can display all Molecular Orbitals of a system at the one time. 2. Display overtone and combination bands of an IR spectrum, again from ORCA 6.1.1. 3. Able to select atoms (elements) to build complex systems, then optimizing that system to find the Ground State of that system. Then exporting the co-ordinates of that system into an input file for ORCA 6.1.1 and beyond.
Just a few thoughts.
Thanks.
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Adrian Tudini Sole Trader ECOVIB2D Email: ecovib2d@live.com website: https://ecovib2d.com.au/index.php _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
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