.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.3.
.TH SDF-TO-SMI "1" "July 2023" "sdf-to-smi 0.2.0+dfsg1" "User Commands"
.SH NAME
sdf-to-smi \- convert SDF to SMILES
.SH DESCRIPTION
USAGE
.IP
sdf\-to\-smi [<args>] [<files>]
.PP
DESCRIPTION
.IP
sdf\-to\-smi converts SDF files into SMILES.
.PP
OPTIONS
.TP
\fB\-\-convert\-type\-8\-bonds\-to\-covalent\fR
convert all type 8 bonds to
single covalent bonds
.TP
\fB\-\-ignore\-flat\-tetrahedra\fR
when considering tetrahedral
chiral centers, ignore flat
tetrahedra (based on volume
threshold) [default]
.TP
\fB\-\-require\-tetrahedral\-angles\fR
when considering tetrahedral
chiral centers, ignore tetrahedra
with average bond angle far from
109.5 degrees
.TP
\fB\-\-planarity\-threshold\fR 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]
.TP
\fB\-\-normalise\-vectors\fR
normalise vectors used for chiral
volume calculation
.TP
\fB\-\-help\fR
print usage message and exit