annotate docs/scripts/txt/JoinSDFiles.txt @ 3:90ea638ce878 draft default tip

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author deepakjadmin
date Wed, 20 Jan 2016 09:11:59 -0500
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1 NAME
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2 JoinSDFiles.pl - Join multiple SDFiles into a single SDFile
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3
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4 SYNOPSIS
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5 JoinSDFiles.pl SDFiles...
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7 JoinSDFiles.pl [-h, --help] [-o, --overwrite] [-r, --root rootname] [-w,
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8 --workingdir dirname] SDFiles...
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10 DESCRIPTION
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11 Multiple *SDFiles* are joined to generate a single SDFile. The file
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12 names are separated by spaces. The valid file extensions are *.sdf* and
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13 *.sd*. All other file names are ignored. All the SD files in a current
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14 directory can be specified either by **.sdf* or the current directory
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15 name.
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17 OPTIONS
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18 -h, --help
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19 Print this help message.
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21 -o, --overwrite
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22 Overwrite existing files.
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24 -r, --root *rootname*
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25 New SD file name is generated using the root: <Root>.sdf. Default
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26 file name:<FirstSDFileName>1To<Count>Joined.sdf.
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28 -w, --workingdir *dirname*
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29 Location of working directory. Default: current directory.
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30
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31 EXAMPLES
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32 To join SD files, type:
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33
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34 % JoinSDFiles.pl -o Sample1.sdf Sample2.sdf
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35 % JoinSDFiles.pl -o *.sdf
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36
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37 To join all Sample*.sdf files in a directory, SomeDir, and generate a
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38 new file NewSample.sdf, type:
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39
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40 % JoinSDFiles.pl -r NewSample -w SomeDir -o *.sdf
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41
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42 AUTHOR
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43 Manish Sud <msud@san.rr.com>
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44
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45 SEE ALSO
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46 InfoSDFiles.pl, MolFilesToSD.pl, SDToMolFiles.pl, SplitSDFiles.pl
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47
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48 COPYRIGHT
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49 Copyright (C) 2015 Manish Sud. All rights reserved.
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50
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51 This file is part of MayaChemTools.
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52
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53 MayaChemTools is free software; you can redistribute it and/or modify it
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54 under the terms of the GNU Lesser General Public License as published by
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55 the Free Software Foundation; either version 3 of the License, or (at
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56 your option) any later version.
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