Example commands:

  • RDKit conformers generation:

` geom -rdkit -i tyrosine.mol -confs `

  • RDKit file conversion:

` geom -rdkit -i tyrosine.mol -o tyrosine.pdb `

  • Rotate geometry 90 degrees around the Y-axis:

` geom -r1 90 geom.xyz origin_CM_yes +y `

  • Generate a nanoparticle sphere:

` geom -create -sphere Ag 30 `

  • Generate a graphene ribbon:

` geom -create -graphene rib 50 20 `