Provided by: smiles-scripts_0.2.0+dfsg1-5_all
NAME
cdksdf2smiles - convert SDF to SMILES
DESCRIPTION
Convert SDF (MOL) files to SMILES strings. USAGE cdksdf2smiles < input.sdf cdksdf2smiles inputs*.sdf OPTIONS: -2, --mdl2000-input read MDL2000 format files (default) -3, --mdl3000-input read MDL3000 format files --cdk-electron-donation-model use the CDK electron donation model (requires extra automatic atom type perception) --daylight-electron-donation-model use the Daylight el. donation model (default) -a, --aromatic output "aromatic" SMILES -a-,--not-aromatic output "kekulised" SMILES -h, --suppress-hydrogens suppress explicit hydrogens (default) -h-, --dont-suppress-hydrogens leave explicit hydrogens --version Print program version and exit --help Print short help message (this message) and exit