Mol Writer
- class MolWriter[source]
Bases:
object
A writer class for V3000
.mol
files.Examples
Writing to a File
import stk bb1 = stk.BuildingBlock('BrCCBr', [stk.BromoFactory()]) writer = stk.MolWriter() writer.write(molecule=bb1, path='bb1.mol')
Methods
to_string
(molecule[, atom_ids])Get a V3000
.mol
file format string of molecule.write
(molecule, path[, atom_ids])Write molecule to V3000
.mol
file format.- to_string(molecule, atom_ids=None)[source]
Get a V3000
.mol
file format string of molecule.- Parameters:
- Return type:
- Returns:
String in V3000
.mol
file format.