NAME

       indigo-cano - produce canonical SMILES or layered code for molecules in MOL or SDF format

SYNOPSIS

       indigo-cano filename.{mol,rdf,rdf.gz,sdf,sdf.gz,smi} [parameters]

       indigo-cano - SMILES [parameters]

DESCRIPTION

       indigo-cano  is  used  to produce canonical SMILES or layered code for molecules in MOL or
       SDF format.

OPTIONS

       indigo-cano expects a file or SMILES code on the  standard  input,  which  then  might  be
       followed by one or more of the following parameters.

       -smiles
              Output canonical SMILES (default)

       -layered
              Output canonical layered code

       -id <string>
              ID field with the given name in an SDF file

       -no-arom
              Do not aromatize molecules

       -no-tetrahedral
              Ignore tetrahedral stereocenters

       -no-cistrans
              Ignore cis-trans bonds information

EXAMPLES

       indigo-cano infile.sdf
       indigo-cano infile.sdf.gz -id molregno > results.txt
       indigo-cano infile.smi -layered -no-cistrans
       indigo-cano - 'NC1C=CC(O)=CC=1'

AUTHOR

       This  manual  page  was  written  by  Daniel Leidert <dleidert@debian.org>, for the Debian
       GNU/Linux system (but may be used by others).