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NAME

SDToMolFiles.pl - Generate MDLMOL file(s) from SD file(s)

SYNOPSIS

SDToMolFiles.pl SDFile(s)...

SDToMolFiles.pl [-h, --help] [-o, --overwrite] [-r, --root rootname] [-w, --workingdir dirname] SDFile(s)...

DESCRIPTION

Generate MDLMOL file(s) from SDFile(s). All header data labels and values in SDFile(s) are simply ignored; other appopriate data from SDFile(s) is transferred to MDLMOL files. Multiple SDFile(s) names are separated by spaces. The valid file extensions are .sdf and .sd. All other file names are ignored. All the SD files in a current directory can be specified either by *.sdf or the current directory name.

OPTIONS

-h, --help

Print this help message

-o, --overwrite

Overwrite existing files

-r, --root rootname

New MDLMOL file names are generated using the root: <Root>Cmpd<Count>.mol Default for new file names: <InitialSDFileName>Cmpd<Count>.mol. This option is ignored for multiple input files.

-w, --workingdir dirname

Location of working directory. Default: current directory

EXAMPLES

To generate MDLMOL files from Sample1*.sdf and Sample2*.sd files, type:

To generate Sample*.mol files from Sample1.sdf, type:

AUTHOR

Manish Sud

SEE ALSO

InfoSDFiles.pl, MolFilesToSD.pl

COPYRIGHT

Copyright (C) 2004-2008 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.