Avogadro cannot open a particular Gaussian 16 output file (.log extension). The older Avogadro program gives an error, “Reading molecular file failed”. The newer version gives a blank page when the GAMESS or NWChem readers are chose. Choosing OpenBabel gives an “error while reading file” message.
Other G16 log files are read without issue. The only difference I see is that the problematic log file is from a restart calculation (from the chk file).
If this is a known issue, hearing about a workaround would be great.
Environment Information
Avogadro version:1.20, 1.95.1
Operating system and version:
MacOS 10.14
Expected Behavior
Program should open molecular model and display frequencies.
While Avo2 has readers for GAMESS or NWChem output files, they won’t do anything for you.
So if Open Babel doesn’t read it, there’s not much we can do until the OB reader for Gaussian has support for that.
OTOH, if you’re using Avogadro2, you can install cclib to your Python environment and then install the avogadro-cclib plugin from Extensions => “Download Plugins…”
Thanks for both replies and thanks for the model picture (just like I pictured it).
Does the Avo2 download process put cclib in the right place? A related issue for me is upgrading python (as I am clinging to Mojave).
Thanks again.
