obabel
Translate chemistry-related data.
TLDR
Convert a .mol file to XYZ coordinates
$ obabel [path/to/file.mol] -O [path/to/output_file.xyz]
Convert a SMILES string to a 500x500 picture
$ obabel -:"[SMILES] -O [path/to/output_file.png] -xp 500
Convert a file of SMILES string to separate 3D .mol files
$ obabel [path/to/file.smi] -O [path/to/output_file.mol] --gen3D -m
Render multiple inputs into one picture
$ obabel [path/to/file1] [path/to/file2] -O [path/to/output_file.png]
