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124 .\" ========================================================================
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125 .\"
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126 .IX Title "SORTSDFILES 1"
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127 .TH SORTSDFILES 1 "2015-03-29" "perl v5.14.2" "MayaChemTools"
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128 .\" For nroff, turn off justification. Always turn off hyphenation; it makes
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129 .\" way too many mistakes in technical documents.
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130 .if n .ad l
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131 .nh
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132 .SH "NAME"
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133 SortSDFiles.pl \- Sort SDFile(s) using values for a data field
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134 .SH "SYNOPSIS"
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135 .IX Header "SYNOPSIS"
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136 SortSDFiles.pl SDFile(s)...
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137 .PP
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138 SortSDFiles.pl [\fB\-d, \-\-detail\fR infolevel] [\fB\-h, \-\-help\fR] [\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR]
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139 [\fB\-\-keydata\fR numeric | alphanumeric] [\fB\-o, \-\-overwrite\fR] [\fB\-r, \-\-root\fR rootname]
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140 [\fB\-s, \-\-sort\fR ascending | descending] [\fB\-w, \-\-workingdir\fR dirname] SDFile(s)...
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141 .SH "DESCRIPTION"
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142 .IX Header "DESCRIPTION"
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143 Sort \fISDFile(s)\fR using values for a specified data field name key. Only one \s-1SD\s0
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144 data field name key can be specified for sorting. In an event of conflict during sorting
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145 process, two similar values for a \s-1SD\s0 data field name key are simply transferred to
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146 output files in order of their presence in input files. Additionally, compound records
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147 with no data field name, empty field values, or field values containing multiple lines
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148 are simply placed at the end. The file names are separated by space.The valid file
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149 extensions are \fI.sdf\fR and \fI.sd\fR. All other file names are ignored. All the \s-1SD\s0 files in a
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150 current directory can be specified either by \fI*.sdf\fR or the current directory name.
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151 .SH "OPTIONS"
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152 .IX Header "OPTIONS"
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153 .IP "\fB\-d, \-\-detail\fR \fIinfolevel\fR" 4
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154 .IX Item "-d, --detail infolevel"
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155 Level of information to print about compound records being ignored. Default: \fI1\fR. Possible
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156 values: \fI1, 2 or 3\fR.
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157 .IP "\fB\-h, \-\-help\fR" 4
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158 .IX Item "-h, --help"
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159 Print this help message.
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160 .IP "\fB\-k, \-\-key\fR \fI\s-1SD\s0 data field name\fR" 4
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161 .IX Item "-k, --key SD data field name"
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162 \&\fISDFile(s)\fR data field name used for sorting compound records. Default value: \fIfirst
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163 data field name\fR. Compound records with no \fIsdfieldname\fR, empty field values, field
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164 values containing multiple lines, or field values inappropriate for sorting are simply placed
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165 at the end.
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166 .IP "\fB\-\-keydata\fR \fInumeric | alphanumeric\fR" 4
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167 .IX Item "--keydata numeric | alphanumeric"
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168 Data type for \fIsdfieldname\fR values. Possible values: \fInumeric or alphanumeric\fR. Default
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169 value: \fInumeric\fR. For \fIalphanumeric\fR data values, comparison is case insensitive.
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170 .IP "\fB\-o, \-\-overwrite\fR" 4
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171 .IX Item "-o, --overwrite"
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172 Overwrite existing files.
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173 .IP "\fB\-r, \-\-root\fR \fIrootname\fR" 4
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174 .IX Item "-r, --root rootname"
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175 New \s-1SD\s0 file name is generated using the root: <Root>.<Ext>. Default new file
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176 name: <InitialSDFileName>SortedByDataField.<Ext>. This option is ignored for multiple
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177 input files.
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178 .IP "\fB\-s, \-\-sort\fR \fIascending | descending\fR" 4
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179 .IX Item "-s, --sort ascending | descending"
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180 Sorting order for \s-1SD\s0 data field values. Possible values: \fIascending or descending\fR.
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181 Default value: \fIascending\fR.
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182 .IP "\fB\-w, \-\-workingdir\fR \fIdirname\fR" 4
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183 .IX Item "-w, --workingdir dirname"
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184 Location of working directory. Default: current directory.
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185 .SH "EXAMPLES"
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186 .IX Header "EXAMPLES"
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187 To perform numerical sort in ascending order using first data field values and
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188 generate a new \s-1SD\s0 file NewSample1.sdf, type:
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189 .PP
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190 .Vb 1
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191 \& % SortSDFiles.pl \-o \-r NewSample1 Sample1.sdf
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192 .Ve
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193 .PP
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194 To perform numerical sort in descending order using MolWeight data field and
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195 generate a new \s-1SD\s0 text file NewSample1.sdf, type:
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196 .PP
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197 .Vb 2
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198 \& % SortSDFiles.pl \-k MolWeight \-\-keydata numeric \-s descending
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199 \& \-r NewSample1 \-o Sample1.sdf
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200 .Ve
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201 .SH "AUTHOR"
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202 .IX Header "AUTHOR"
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203 Manish Sud <msud@san.rr.com>
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204 .SH "SEE ALSO"
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205 .IX Header "SEE ALSO"
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206 JoinSDFiles.pl, MergeTextFilesWithSD.pl, SplitSDFiles.pl, SDFilesToHTML.pl
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207 .SH "COPYRIGHT"
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208 .IX Header "COPYRIGHT"
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209 Copyright (C) 2015 Manish Sud. All rights reserved.
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210 .PP
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211 This file is part of MayaChemTools.
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212 .PP
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213 MayaChemTools is free software; you can redistribute it and/or modify it under
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214 the terms of the \s-1GNU\s0 Lesser General Public License as published by the Free
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215 Software Foundation; either version 3 of the License, or (at your option)
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216 any later version.
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