GAMESS Input File Builder GUI A Python-based GUI tool for generating GAMESS input files with customizable parameters and automatic processing of molecular geometry data from XMOL/XYZ …

The geometry can also be read from an external .xyz file using the "xyzfile" flag. In the previous case, if one had a "hydroxide.xyz" file in the same folder as the input, the input would be:

You can save you geometry as a .xyz file or directly use Control+C to copy the xyz data and paste it on a text editor. Creating inputs ¶ After drawing a molecule, you can use Avogadro to make simple …