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.\"
.IX Title "SORTSDFILES 1"
.TH SORTSDFILES 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
.\" For nroff, turn off justification.  Always turn off hyphenation; it makes
.\" way too many mistakes in technical documents.
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.SH "NAME"
SortSDFiles.pl \- Sort SDFile(s) using values for a data field
.SH "SYNOPSIS"
.IX Header "SYNOPSIS"
SortSDFiles.pl SDFile(s)...
.PP
SortSDFiles.pl [\fB\-d, \-\-detail\fR infolevel] [\fB\-h, \-\-help\fR] [\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR]
[\fB\-\-keydata\fR numeric | alphanumeric] [\fB\-o, \-\-overwrite\fR] [\fB\-r, \-\-root\fR rootname]
[\fB\-s, \-\-sort\fR ascending | descending] [\fB\-w, \-\-workingdir\fR dirname] SDFile(s)...
.SH "DESCRIPTION"
.IX Header "DESCRIPTION"
Sort \fISDFile(s)\fR using values for a specified data field name key. Only one \s-1SD\s0
data field name key can be specified for sorting. In an event of conflict during sorting
process, two similar values for a \s-1SD\s0 data field name key are simply transferred to
output files in order of their presence in input files. Additionally, compound records
with no data field name, empty field values, or field values containing multiple lines
are simply placed at the end. The file names are separated by space.The valid file
extensions are \fI.sdf\fR and \fI.sd\fR. All other file names are ignored. All the \s-1SD\s0 files in a
current directory can be specified either by \fI*.sdf\fR or the current directory name.
.SH "OPTIONS"
.IX Header "OPTIONS"
.IP "\fB\-d, \-\-detail\fR \fIinfolevel\fR" 4
.IX Item "-d, --detail infolevel"
Level of information to print about compound records being ignored. Default: \fI1\fR. Possible
values: \fI1, 2 or 3\fR.
.IP "\fB\-h, \-\-help\fR" 4
.IX Item "-h, --help"
Print this help message.
.IP "\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR" 4
.IX Item "-k, --key SD data field name"
\&\fISDFile(s)\fR data field name used for sorting compound records. Default value: \fIfirst
data field name\fR. Compound records with no \fIsdfieldname\fR, empty field values, field
values containing multiple lines, or field values inappropriate for sorting are simply placed
at the end.
.IP "\fB\-\-keydata\fR \fInumeric | alphanumeric\fR" 4
.IX Item "--keydata numeric | alphanumeric"
Data type for \fIsdfieldname\fR values. Possible values: \fInumeric or alphanumeric\fR. Default
value: \fInumeric\fR. For \fIalphanumeric\fR data values, comparison is case insensitive.
.IP "\fB\-o, \-\-overwrite\fR" 4
.IX Item "-o, --overwrite"
Overwrite existing files.
.IP "\fB\-r, \-\-root\fR \fIrootname\fR" 4
.IX Item "-r, --root rootname"
New \s-1SD\s0 file name is generated using the root: <Root>.<Ext>. Default new file
name: <InitialSDFileName>SortedByDataField.<Ext>. This option is ignored for multiple
input files.
.IP "\fB\-s, \-\-sort\fR \fIascending | descending\fR" 4
.IX Item "-s, --sort ascending | descending"
Sorting order for \s-1SD\s0 data field values. Possible values: \fIascending or descending\fR.
Default value: \fIascending\fR.
.IP "\fB\-w, \-\-workingdir\fR \fIdirname\fR" 4
.IX Item "-w, --workingdir dirname"
Location of working directory. Default: current directory.
.SH "EXAMPLES"
.IX Header "EXAMPLES"
To perform numerical sort in ascending order using first data field values and
generate a new \s-1SD\s0 file NewSample1.sdf, type:
.PP
.Vb 1
\&    % SortSDFiles.pl \-o \-r NewSample1 Sample1.sdf
.Ve
.PP
To perform numerical sort in descending order using MolWeight data field and
generate a new \s-1SD\s0 text file NewSample1.sdf, type:
.PP
.Vb 2
\&    % SortSDFiles.pl \-k MolWeight \-\-keydata numeric \-s descending
\&      \-r NewSample1 \-o Sample1.sdf
.Ve
.SH "AUTHOR"
.IX Header "AUTHOR"
Manish Sud <[e-mail]>
.SH "SEE ALSO"
.IX Header "SEE ALSO"
JoinSDFiles.pl, MergeTextFilesWithSD.pl, SplitSDFiles.pl, SDFilesToHTML.pl
.SH "COPYRIGHT"
.IX Header "COPYRIGHT"
Copyright (C) 2015 Manish Sud. All rights reserved.
.PP
This file is part of MayaChemTools.
.PP
MayaChemTools is free software; you can redistribute it and/or modify it under
the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
Software Foundation; either version 3 of the License, or (at your option)
any later version.