NAME
    MolFilesToSD.pl - Generate a SD file from MDLMOL File(s)

SYNOPSIS
    MolFilesToSD.pl MDLMOLFile(s)...

    MolFilesToSD.pl [-c, --compoundid usefileprefix | idlabel] [-d,
    --datafieldlabel fieldlabel] [-h, --help] [-m, --mode molnameline |
    datafield | both | none] [-o, --overwrite] [-r, --root rootname] [-w,
    --workingdir dirname] MDLMOLFile(s)...

DESCRIPTION
    Generate a SD file from *MDLMOL File(s)*. Multiple file names are
    separated by spaces. The valid file extension is *.mol*. All other file
    names are ignored. All the files in a current directory can be specified
    by **.mol*, or the current directory name.

OPTIONS
    -c, --compoundid *usefileprefix | idlabel*
        Specify how to generate compound IDs: use MOL filename prefix or
        generate a new compound ID by combining *idlabel* with compound
        number. Possible values: *usefileprefix | idlabel*. By default,
        *Cmd* is used as a *idlabel* to generate these types of compound
        IDs: Cmpd1, Cmpd2 and so on.

        Example: To generate compound IDs like Mol_ID1, Mol_ID2 and so on,
        specify "MolID" value for this option.

    -d, --datafieldlabel *fieldlabel*
        Specify data field label for adding compound ID field into SD file
        during *datafield | both* values of -m, --mode option. Default:
        <Cmpd_ID>.

    -h, --help
        Print this help message.

    -m, --mode *molnameline | datafield | both | none*
        Specify how to add compopund ID into SD file: relplace the molname
        line, add a new data field, replace the molname line and add data
        field, or do nothing. Possible values: *molnameline | datafield |
        both | none*. Default: *nothing*.

        Use -c, --compoundid to specify compound ID generation process.

    -o, --overwrite
        Overwrite existing files.

    -r, --root *rootname*
        New SD file name is generated using the root: <Root>.sdf. Default
        new file name: <InitialMOLFileName>1To<Count>.sdf.

    -w, --workingdir *dirname*
        Location of working directory. Default: current directory.

EXAMPLES
    To generate NewSample.sdf file from Sample*.mol files, type:

        % MolFilesToSD.pl  -r NewSample -o Sample*.mol

    To generate NewSample.sdf with Cmpd1, Cmpd2 and so on as compound ID in
    MolName line and Cmpd_ID datafield from Sample*.mol files, type:

        % MolFilesToSD.pl  -r NewSample -m both -o Sample*.mol

AUTHOR
    Manish Sud <msud@san.rr.com>

SEE ALSO
    InfoSDFiles.pl, SDToMolFiles.pl

COPYRIGHT
    Copyright (C) 2018 Manish Sud. All rights reserved.

    This file is part of MayaChemTools.

    MayaChemTools is free software; you can redistribute it and/or modify it
    under the terms of the GNU Lesser General Public License as published by
    the Free Software Foundation; either version 3 of the License, or (at
    your option) any later version.

