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
--no-adjust-charges
do not adjust atom charges when converting type 8 bonds
--no-estimate-attached-hydrogens
do not estimate the number of attached hydrogens
--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
--mark-square-planar-centers
mark chirality in square planar centers
--no-generate-racemates
do not attempt to fully represent racemates in non-Sohncke space groups
--remove-excess-stereochemistry
remove excess stereochemistry settings (experimental)
--help print usage message and exit
sdf-to-smi 0.3.0+svn878+branch+system+deps March 2025 SDF-TO-SMI(1)