.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.3.
.TH SMI_ISOMORPHISM "1" "July 2023" "smi_isomorphism 0.2.0+dfsg1" "User Commands"
.SH NAME
smi_isomorphism \- detect isomorphism between SMILES
.SH DESCRIPTION
USAGE
.IP
smi_isomorphism [<args>] [<files>]
.PP
DESCRIPTION
.IP
smi_isomorphism reads in files with three tab\-separated columns:
.IP
<ID> <SMILES_1> <SMILES_2>
.IP
The program then attempts to detect isomorphism between <SMILES_1> and
<SMILES_2> on each line. If immediate isomorphism is not detected,
step\-by\-step simplifications are performed in order to lead both
SMILES to isomorphism.
.PP
OPTIONS
.TP
\fB\-\-check\-isomorphism\fR
perform an extra isomorphism check on molecular
entities detected as isomorphic by comparing
their canonical representations
.TP
\fB\-\-help\fR
print usage message and exit