Make sure you have pygraphviz installed
pip install molcloud
molcloud [smiles-file]
and the output will go to cloud.png
. You can specify a few things too:
molcloud [smiles-file] --output-file [output-file] --width 10 --node-size 25
Use molcloud --help
for complete options. smiles-file
should contain smiles, one per line like:
O=C(OC)C=1C=CC2=NC=C(C(=O)OCC)C(NCC(O)C)=C2C1
O=C1C2=NC=CC3=C(OC)C=4OCOC4C(C=5C=C(OC)C(OC)=C(OC)C15)=C23
Adjust width as you add more molecules. The drawing is always square (sorry).