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

       --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)