diff docs/scripts/man1/SortSDFiles.1 @ 0:4816e4a8ae95 draft default tip

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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.
+.if n .ad l
+.nh
+.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.