Provided by: smiles-scripts_0.2.0+dfsg1-4_all
NAME
sdf-to-smi - convert SDF to SMILES
DESCRIPTION
USAGE sdf-to-smi [<args>] [<files>] DESCRIPTION sdf-to-smi converts SDF files into SMILES. OPTIONS --convert-type-8-bonds-to-covalent convert all type 8 bonds to single covalent bonds --ignore-flat-tetrahedra when considering tetrahedral chiral centers, ignore flat tetrahedra (based on volume threshold) [default] --require-tetrahedral-angles when considering tetrahedral chiral centers, ignore tetrahedra with average bond angle far from 109.5 degrees --planarity-threshold NUM planarity volume threshold in cubic angstroms; tetrahedra with chiral volume less or equal to the given one will be understood as flat [default: 1e-06] --normalise-vectors normalise vectors used for chiral volume calculation --help print usage message and exit