diff --git a/pages/linux/obabel.md b/pages/linux/obabel.md new file mode 100644 index 000000000..81ff99e5e --- /dev/null +++ b/pages/linux/obabel.md @@ -0,0 +1,20 @@ +# obabel + +> Translate chemistry-related data. +> More information: . + +- 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}}`