Displays the molecular geometry from an .xyz file or a .log file of Gaussian, Orca or Priroda in real time in a HyperChem style. It can be useful for geometry optimization jobs. GAMESS / Firefly support coming soon.
Can be run alongside with the calculation using a simple script, for example:
#!/bin/sh
export GIN="$@"
export GOUT="${GIN%.*}.log"
touch $GOUT
exec python3 ~/beermol/main.py $GOUT &
exec g09 "$@"
BeerMol requires VTK (Visualisation Toolkit). To install, type in terminal:
pip install vtk