indigo-deco - molecule scaffold detection and R-group deconvolution

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

indigo                                             29/12/2013                                     INDIGO-DECO(1)

indigo-deco perfoms molecule scaffold detection and R-group deconvolution. Accepted formats are: Molfile,
       SDFile, RDFile, SMILES and CML.

indigo-deco*.mol-ohl.sdf-sscaf.sdf
              Read molecules from molfiles in the current directory, save maximum found scaffold to scaf.mol and
              save highlighted molecules to hl.sdf.

       indigo-decostructure.molmany.sdf-sscaf.mol-Sallscafs.sdf-rrg.sdf
              Read  one molecule from structure.mol and multiple molecules from many.sdf, save molecules with r-
              rgoups to rg.sdf and save all found scaffolds to allscafs.sdf.

       indigo-deco*.smi-dreadyscaf.mol-ohl.sdf
              Read multiple molecules from every SMILES file  in  the  current  directory,  read  scaffold  from
              readyscaf.mol and save highlighted molecules to hl.sdf.

       indigo-deco - molecule scaffold detection and R-group deconvolution

indigo-deco accepts the following parameters.

       -h     Print help message

       -a     Calculate approximate scaffold (default is exact)

       -s<file>
              Write maximum found scaffold to molfile

       -S<file>
              Write all found scaffolds to SD-file

       -l<file>
              Do not calculate scaffold, but load it from file

       -sr<file>
              Write scaffold with R-sites to a file

       -o<file>
              Write resulting highlighted molecules to file

       -r<file>
              Write resulting molecules with separated r-groups to file

       -na    No aromatic consideration

       --     Marks the end of options

indigo-decofiles [parameters]

       indigo-deco-h