I made auto optimization working by installing openbabel using sudo apt install openbabel.

Is there any way to make Gaussian extension working by doing something?

I've the avogenerators scripts in /home/jupiter/.local/share/OpenChemistry/Avogadro/inputGenerators/OpenChemistry-avogenerators-eddfee4.

Please help me to generate input file for gaussian, ASAP. Thanks in advance.

  • 1
    $\begingroup$ Is your problem the same one described in this past question? How to make the input generator plugin work in Avogadro 2 on GNU/Linux?. The solution is to compile Avogadro 2 from source. $\endgroup$
    – ksousa
    Oct 6 at 14:15
  • 2
    $\begingroup$ What version of Avogadro2 do you have installed? How did you install it? The latest version (1.95.1) fixes a number of packaging bugs related to input generators. $\endgroup$ Oct 9 at 14:37

You can use OpenBabel directly to obtain the Gaussian input from command line.

OpenBabel supports two types of Gaussian input generation:

  • Gaussian 98/03 Cartesian Input
  • Gaussian Z-matrix Input

To run OpenBabel:

obabel [-i<input-type>] <infilename> [-o<output-type>] -O<outfilename> [Options]

Take a look at this answer for information about all the formats OpenBabel work with.


Not the answer you're looking for? Browse other questions tagged or ask your own question.