|
0
|
1 <html>
|
|
|
2 <head>
|
|
|
3 <title>MayaChemTools:Documentation:ExtractFromSDFiles.pl</title>
|
|
|
4 <meta http-equiv="content-type" content="text/html;charset=utf-8">
|
|
|
5 <link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css">
|
|
|
6 </head>
|
|
|
7 <body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10">
|
|
|
8 <br/>
|
|
|
9 <center>
|
|
|
10 <a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a>
|
|
|
11 </center>
|
|
|
12 <br/>
|
|
|
13 <div class="DocNav">
|
|
|
14 <table width="100%" border=0 cellpadding=0 cellspacing=2>
|
|
|
15 <tr align="left" valign="top"><td width="33%" align="left"><a href="./ExtractFromPDBFiles.html" title="ExtractFromPDBFiles.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./ExtractFromSequenceFiles.html" title="ExtractFromSequenceFiles.html">Next</a></td><td width="34%" align="middle"><strong>ExtractFromSDFiles.pl</strong></td><td width="33%" align="right"><a href="././code/ExtractFromSDFiles.html" title="View source code">Code</a> | <a href="./../pdf/ExtractFromSDFiles.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/ExtractFromSDFiles.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/ExtractFromSDFiles.pdf" title="PDF A4 Size">PDFA4</a> | <a href="./../pdfa4green/ExtractFromSDFiles.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
|
|
|
16 </table>
|
|
|
17 </div>
|
|
|
18 <p>
|
|
|
19 </p>
|
|
|
20 <h2>NAME</h2>
|
|
|
21 <p>ExtractFromSDFiles.pl - Extract specific data from SDFile(s)</p>
|
|
|
22 <p>
|
|
|
23 </p>
|
|
|
24 <h2>SYNOPSIS</h2>
|
|
|
25 <p>ExtractFromSDFiles.pl SDFile(s)...</p>
|
|
|
26 <p>ExtractFromSDFiles.pl [<strong>-h, --help</strong>]
|
|
|
27 [<strong>-d, --datafields</strong> "fieldlabel,..." | "fieldlabel,value,criteria..." | "fieldlabel,value,value..."]
|
|
|
28 [<strong>--datafieldsfile</strong> filename] [<strong>--indelim</strong> comma | tab | semicolon] [<strong>-m, --mode</strong> alldatafields |
|
|
|
29 commondatafields | | datafieldnotbylist | datafields | datafieldsbyvalue | datafieldsbyregex | datafieldbylist |
|
|
|
30 datafielduniquebylist | molnames | randomcmpds | recordnum | recordnums | recordrange | 2dcmpdrecords |
|
|
|
31 3dcmpdrecords ] [<strong>-n, --numofcmpds</strong> number] [<strong>--outdelim</strong> comma | tab | semicolon]
|
|
|
32 [<strong>--output</strong> SD | text | both] [<strong>-o, --overwrite</strong>] [<strong>-q, --quote</strong> yes | no]
|
|
|
33 [<strong>--record</strong> recnum | startrecnum,endrecnum] <strong>--RegexIgnoreCase</strong> <em>yes or no</em>
|
|
|
34 [<strong>-r, --root</strong> rootname] [<strong>-s, --seed</strong> number] [<strong>--StrDataString</strong> yes | no]
|
|
|
35 [<strong>--StrDataStringDelimiter</strong> text] [<strong>--StrDataStringMode</strong> StrOnly | StrAndDataFields]
|
|
|
36 [<strong>--ValueComparisonMode</strong> <em>Numeric | Alphanumeric</em>]
|
|
|
37 [<strong>-v, --violations-</strong> number] [<strong>-w, --workingdir</strong> dirname] SDFile(s)...</p>
|
|
|
38 <p>
|
|
|
39 </p>
|
|
|
40 <h2>DESCRIPTION</h2>
|
|
|
41 <p>Extract specific data from <em>SDFile(s)</em> and generate appropriate SD or CSV/TSV text
|
|
|
42 file(s). The structure data from SDFile(s) is not transferred to CSV/TSV text file(s).
|
|
|
43 Multiple SDFile names are separated by spaces. The valid file extensions are <em>.sdf</em>
|
|
|
44 and <em>.sd</em>. All other file names are ignored. All the SD files in a current directory
|
|
|
45 can be specified either by <em>*.sdf</em> or the current directory name.</p>
|
|
|
46 <p>
|
|
|
47 </p>
|
|
|
48 <h2>OPTIONS</h2>
|
|
|
49 <dl>
|
|
|
50 <dt><strong><strong>-h, --help</strong></strong></dt>
|
|
|
51 <dd>
|
|
|
52 <p>Print this help message.</p>
|
|
|
53 </dd>
|
|
|
54 <dt><strong><strong>-d, --datafields</strong> <em>"fieldlabel,..." | "fieldlabel,value,criteria..." | "fieldlabel,value,value,..."</em></strong></dt>
|
|
|
55 <dd>
|
|
|
56 <p>This value is mode specific. In general, it's a list of comma separated data field labels
|
|
|
57 and associated mode specific values.</p>
|
|
|
58 <p>For <em>datafields</em> mode, input value format is: <em>fieldlabel,...</em>. Examples:</p>
|
|
|
59 <div class="OptionsBox">
|
|
|
60 Extreg
|
|
|
61 <br/> Extreg,CompoundName,ID</div>
|
|
|
62 <p>For <em>datafieldsbyvalue</em> mode, input value format contains these triplets:
|
|
|
63 <em>fieldlabel,value, criteria...</em>. Possible values for criteria: <em>le, ge or eq</em>.
|
|
|
64 The values of <strong>--ValueComparisonMode</strong> indicates whether values are
|
|
|
65 compared numerical or string comarison operators. Default is to consider
|
|
|
66 data field values as numerical values and use numerical comparison operators.
|
|
|
67 Examples:</p>
|
|
|
68 <div class="OptionsBox">
|
|
|
69 MolWt,450,le
|
|
|
70 <br/> MolWt,450,le,LogP,5,le,SumNumNO,10,le,SumNHOH,5,le</div>
|
|
|
71 <p>For <em>datafieldsbyregex</em> mode, input value format contains these triplets:
|
|
|
72 <em>fieldlabel,regex, criteria...</em>. <em>regex</em> corresponds to any valid regular expression
|
|
|
73 and is used to match the values for specified <em>fieldlabel</em>. Possible values for criteria:
|
|
|
74 <em>eq or ne</em>. During <em>eq</em> and <em>ne</em> values, data field label value is matched with
|
|
|
75 regular expression using =~ and !~ respectively. <strong>--RegexIgnoreCase</strong> option
|
|
|
76 value is used to determine whether to ignore letter upper/lower case during
|
|
|
77 regular expression match. Examples:</p>
|
|
|
78 <div class="OptionsBox">
|
|
|
79 Name,ol,eq
|
|
|
80 <br/> Name,'^pat',ne</div>
|
|
|
81 <p>For <em>datafieldbylist</em> and <em>datafielduniquebylist</em> mode, input value format is:
|
|
|
82 <em>fieldlabel,value1,value2...</em>. This is equivalent to <em>datafieldsbyvalue</em> mode with
|
|
|
83 this input value format:<em>fieldlabel,value1,eq,fieldlabel,value2,eq,...</em>. For
|
|
|
84 <em>datafielduniquebylist</em> mode, only unique compounds identified by first occurrence
|
|
|
85 of <em>value</em> associated with <em>fieldlabel</em> in <em>SDFile(s)</em> are kept; any subsequent compounds
|
|
|
86 are simply ignored.</p>
|
|
|
87 <p>For <em>datafieldnotbylist</em> mode, input value format is: <em>fieldlabel,value1,value2...</em>. In this
|
|
|
88 mode, the script behaves exactly opposite of <em>datafieldbylist</em> mode, and only those compounds
|
|
|
89 are extracted whose data field values don't match any specified data field value.</p>
|
|
|
90 </dd>
|
|
|
91 <dt><strong><strong>--datafieldsfile</strong> <em>filename</em></strong></dt>
|
|
|
92 <dd>
|
|
|
93 <p>Filename which contains various mode specific values. This option provides a way
|
|
|
94 to specify mode specific values in a file instead of entering them on the command
|
|
|
95 line using <strong>-d --datafields</strong>.</p>
|
|
|
96 <p>For <em>datafields</em> mode, input file lines contain comma delimited field labels:
|
|
|
97 <em>fieldlabel,...</em>. Example:</p>
|
|
|
98 <div class="OptionsBox">
|
|
|
99 Line 1:MolId
|
|
|
100 <br/> Line 2:"Extreg",CompoundName,ID</div>
|
|
|
101 <p>For <em>datafieldsbyvalue</em> mode, input file lines contains these comma separated triplets:
|
|
|
102 <em>fieldlabel,value, criteria</em>. Possible values for criteria: <em>le, ge or eq</em>. Examples:</p>
|
|
|
103 <div class="OptionsBox">
|
|
|
104 Line 1:MolWt,450,le</div>
|
|
|
105 <div class="OptionsBox">
|
|
|
106 Line 1:"MolWt",450,le,"LogP",5,le,"SumNumNO",10,le,"SumNHOH",5,le</div>
|
|
|
107 <div class="OptionsBox">
|
|
|
108 Line 1:MolWt,450,le
|
|
|
109 <br/> Line 2:"LogP",5,le
|
|
|
110 <br/> Line 3:"SumNumNO",10,le
|
|
|
111 <br/> Line 4: SumNHOH,5,le</div>
|
|
|
112 <p>For <em>datafieldbylist</em> and <em>datafielduniquebylist</em> mode, input file line format is:</p>
|
|
|
113 <div class="OptionsBox">
|
|
|
114 Line 1:fieldlabel;
|
|
|
115 <br/> Subsequent lines:value1,value2...</div>
|
|
|
116 <p>For <em>datafieldbylist</em>, <em>datafielduniquebylist</em>, and <em>datafieldnotbylist</em> mode, input file
|
|
|
117 line format is:</p>
|
|
|
118 <div class="OptionsBox">
|
|
|
119 Line 1:fieldlabel;
|
|
|
120 <br/> Subsequent lines:value1,value2...</div>
|
|
|
121 <p>For <em>datafielduniquebylist</em> mode, only unique compounds identified by first occurrence
|
|
|
122 of <em>value</em> associated with <em>fieldlabel</em> in <em>SDFile(s)</em> are kept; any subsequent compounds
|
|
|
123 are simply ignored. Example:</p>
|
|
|
124 <div class="OptionsBox">
|
|
|
125 Line 1: MolID
|
|
|
126 <br/> Subsequent Lines:
|
|
|
127 <br/> 907508
|
|
|
128 <br/> 832291,4642
|
|
|
129 <br/> "1254","907303"</div>
|
|
|
130 </dd>
|
|
|
131 <dt><strong><strong>--indelim</strong> <em>comma | tab | semicolon</em></strong></dt>
|
|
|
132 <dd>
|
|
|
133 <p>Delimiter used to specify text values for <strong>-d --datafields</strong> and <strong>--datafieldsfile</strong> options.
|
|
|
134 Possible values: <em>comma, tab, or semicolon</em>. Default value: <em>comma</em>.</p>
|
|
|
135 </dd>
|
|
|
136 <dt><strong><strong>-m, --mode</strong> <em>alldatafields | commondatafields | datafields | datafieldsbyvalue | datafieldsbyregex | datafieldbylist | datafielduniquebylist | datafieldnotbylist | molnames | randomcmpds | recordnum | recordnums | recordrange | 2dcmpdrecords | 3dcmpdrecords</em></strong></dt>
|
|
|
137 <dd>
|
|
|
138 <p>Specify what to extract from <em>SDFile(s)</em>. Possible values: <em>alldatafields, commondatafields,
|
|
|
139 datafields, datafieldsbyvalue, datafieldsbyregex, datafieldbylist, datafielduniquebylist, datafieldnotbylist,
|
|
|
140 molnames, randomcmpds, recordnum, recordnums, recordrange, 2dcmpdrecords, 3dcmpdrecords</em>.
|
|
|
141 Default value: <em>alldatafields</em>.</p>
|
|
|
142 <p>For <em>alldatafields</em> and <em>molnames</em> mode, only a CSV/TSV text file is generated; for all
|
|
|
143 other modes, however, a SD file is generated by default - you can change the behavior to genereate
|
|
|
144 text file using <em>--output</em> option.</p>
|
|
|
145 <p>For <em>3DCmpdRecords</em> mode, only those compounds with at least one non-zero value for Z atomic coordinates
|
|
|
146 are retrieved; however, during retrieval of compounds in <em>2DCmpdRecords</em> mode, all Z atomic coordinates must
|
|
|
147 be zero.</p>
|
|
|
148 </dd>
|
|
|
149 <dt><strong><strong>-n, --numofcmpds</strong> <em>number</em></strong></dt>
|
|
|
150 <dd>
|
|
|
151 <p>Number of compouds to extract during <em>randomcmpds</em> mode.</p>
|
|
|
152 </dd>
|
|
|
153 <dt><strong><strong>--outdelim</strong> <em>comma | tab | semicolon</em></strong></dt>
|
|
|
154 <dd>
|
|
|
155 <p>Delimiter for output CSV/TSV text file(s). Possible values: <em>comma, tab, or semicolon</em>
|
|
|
156 Default value: <em>comma</em></p>
|
|
|
157 </dd>
|
|
|
158 <dt><strong><strong>--output</strong> <em>SD | text | both</em></strong></dt>
|
|
|
159 <dd>
|
|
|
160 <p>Type of output files to generate. Possible values: <em>SD, text, or both</em>. Default value: <em>SD</em>. For
|
|
|
161 <em>alldatafields</em> and <em>molnames</em> mode, this option is ingored and only a CSV/TSV text file is generated.</p>
|
|
|
162 </dd>
|
|
|
163 <dt><strong><strong>-o, --overwrite</strong></strong></dt>
|
|
|
164 <dd>
|
|
|
165 <p>Overwrite existing files.</p>
|
|
|
166 </dd>
|
|
|
167 <dt><strong><strong>-q, --quote</strong> <em>yes | no</em></strong></dt>
|
|
|
168 <dd>
|
|
|
169 <p>Put quote around column values in output CSV/TSV text file(s). Possible values:
|
|
|
170 <em>yes or no</em>. Default value: <em>yes</em>.</p>
|
|
|
171 </dd>
|
|
|
172 <dt><strong><strong>--record</strong> <em>recnum | recnums | startrecnum,endrecnum</em></strong></dt>
|
|
|
173 <dd>
|
|
|
174 <p>Record number, record numbers or range of records to extract during <em>recordnum</em>, <em>recordnums</em>
|
|
|
175 and <em>recordrange</em> mode. Input value format is: <num>, <num1,num2,...> and <startnum, endnum>
|
|
|
176 for <em>recordnum</em>, <em>recordnums</em> and <em>recordrange</em> modes recpectively. Default value: none.</p>
|
|
|
177 </dd>
|
|
|
178 <dt><strong><strong>--RegexIgnoreCase</strong> <em>yes or no</em></strong></dt>
|
|
|
179 <dd>
|
|
|
180 <p>Specify whether to ingnore case during <em>datafieldsbyregex</em> value of <strong>-m, --mode</strong> option.
|
|
|
181 Possible values: <em>yes or no</em>. Default value: <em>yes</em>.</p>
|
|
|
182 </dd>
|
|
|
183 <dt><strong><strong>-r, --root</strong> <em>rootname</em></strong></dt>
|
|
|
184 <dd>
|
|
|
185 <p>New file name is generated using the root: <Root>.<Ext>. Default for new file
|
|
|
186 names: <SDFileName><mode>.<Ext>. The file type determines <Ext> value.
|
|
|
187 The sdf, csv, and tsv <Ext> values are used for SD, comma/semicolon, and tab
|
|
|
188 delimited text files respectively.This option is ignored for multiple input files.</p>
|
|
|
189 </dd>
|
|
|
190 <dt><strong><strong>-s, --seed</strong> <em>number</em></strong></dt>
|
|
|
191 <dd>
|
|
|
192 <p>Random number seed used for <em>randomcmpds</em> mode. Default:123456789.</p>
|
|
|
193 </dd>
|
|
|
194 <dt><strong><strong>--StrDataString</strong> <em>yes | no</em></strong></dt>
|
|
|
195 <dd>
|
|
|
196 <p>Specify whether to write out structure data string to CSV/TSV text file(s). Possible values:
|
|
|
197 <em>yes or no</em>. Default value: <em>no</em>.</p>
|
|
|
198 <p>The value of <strong>StrDataStringDelimiter</strong> option is used as a delimiter to join structure
|
|
|
199 data lines into a structure data string.</p>
|
|
|
200 <p>This option is ignored during generation of SD file(s).</p>
|
|
|
201 </dd>
|
|
|
202 <dt><strong><strong>--StrDataStringDelimiter</strong> <em>text</em></strong></dt>
|
|
|
203 <dd>
|
|
|
204 <p>Delimiter for joining multiple stucture data lines into a string before writing to CSV/TSV text
|
|
|
205 file(s). Possible values: <em>any alphanumeric text</em>. Default value: <em>|</em>.</p>
|
|
|
206 <p>This option is ignored during generation of SD file(s).</p>
|
|
|
207 </dd>
|
|
|
208 <dt><strong><strong>--StrDataStringMode</strong> <em>StrOnly | StrAndDataFields</em></strong></dt>
|
|
|
209 <dd>
|
|
|
210 <p>Specify whether to include SD data fields and values along with the structure data into structure
|
|
|
211 data string before writing it out to CSV/TSV text file(s). Possible values: <em>StrOnly or StrAndDataFields</em>.
|
|
|
212 Default value: <em>StrOnly</em>.</p>
|
|
|
213 <p>The value of <strong>StrDataStringDelimiter</strong> option is used as a delimiter to join structure
|
|
|
214 data lines into a structure data string.</p>
|
|
|
215 <p>This option is ignored during generation of SD file(s).</p>
|
|
|
216 </dd>
|
|
|
217 <dt><strong><strong>--ValueComparisonMode</strong> <em>Numeric | Alphanumeric</em></strong></dt>
|
|
|
218 <dd>
|
|
|
219 <p>Specify how to compare data field values during <em>datafieldsbyvalue</em> mode: Compare
|
|
|
220 values using either numeric or string ((eq, le, ge) comparison operators. Possible values:
|
|
|
221 <em>Numeric or Alphanumeric</em>. Defaule value: <em>Numeric</em>.</p>
|
|
|
222 </dd>
|
|
|
223 <dt><strong><strong>-v, --violations</strong> <em>number</em></strong></dt>
|
|
|
224 <dd>
|
|
|
225 <p>Number of criterion violations allowed for values specified during <em>datafieldsbyvalue</em>
|
|
|
226 and <em>datafieldsbyregex</em> mode. Default value: <em>0</em>.</p>
|
|
|
227 </dd>
|
|
|
228 <dt><strong><strong>-w, --workingdir</strong> <em>dirname</em></strong></dt>
|
|
|
229 <dd>
|
|
|
230 <p>Location of working directory. Default: current directory.</p>
|
|
|
231 </dd>
|
|
|
232 </dl>
|
|
|
233 <p>
|
|
|
234 </p>
|
|
|
235 <h2>EXAMPLES</h2>
|
|
|
236 <p>To retrieve all data fields from SD files and generate CSV text files, type:</p>
|
|
|
237 <div class="ExampleBox">
|
|
|
238 % ExtractFromSDFiles.pl -o Sample.sdf
|
|
|
239 <br/>% ExtractFromSDFiles.pl -o *.sdf</div>
|
|
|
240 <p>To retrieve all data fields from SD file and generate CSV text files containing
|
|
|
241 a column with structure data as a string with | as line delimiter, type:</p>
|
|
|
242 <div class="ExampleBox">
|
|
|
243 % ExtractFromSDFiles.pl --StrDataString Yes -o Sample.sdf</div>
|
|
|
244 <p>To retrieve MOL_ID data fileld from SD file and generate CSV text files containing
|
|
|
245 a column with structure data along with all data fields as a string with | as line
|
|
|
246 delimiter, type:</p>
|
|
|
247 <div class="ExampleBox">
|
|
|
248 % ExtractFromSDFiles.pl -m datafields -d "Mol_ID" --StrDataString Yes
|
|
|
249 --StrDataStringMode StrAndDataFields --StrDataStringDelimiter "|"
|
|
|
250 --output text -o Sample.sdf</div>
|
|
|
251 <p>To retrieve common data fields which exists for all the compounds in
|
|
|
252 a SD file and generate a TSV text file NewSample.tsv, type:</p>
|
|
|
253 <div class="ExampleBox">
|
|
|
254 % ExtractFromSDFiles.pl -m commondatafields --outdelim tab -r NewSample
|
|
|
255 --output Text -o Sample.sdf</div>
|
|
|
256 <p>To retrieve MolId, ExtReg, and CompoundName data field from a SD file and generate a
|
|
|
257 CSV text file NewSample.csv, type:</p>
|
|
|
258 <div class="ExampleBox">
|
|
|
259 % ExtractFromSDFiles.pl -m datafields -d "Mol_ID,MolWeight,
|
|
|
260 CompoundName" -r NewSample --output Text -o Sample.sdf</div>
|
|
|
261 <p>To retrieve compounds from a SD which meet a specific set of criteria - MolWt <= 450,
|
|
|
262 LogP <= 5 and SumNO < 10 - from a SD file and generate a new SD file NewSample.sdf,
|
|
|
263 type:</p>
|
|
|
264 <div class="ExampleBox">
|
|
|
265 % ExtractFromSDFiles.pl -m datafieldsbyvalue -d "MolWt,450,le,LogP
|
|
|
266 ,5,le,SumNO,10" -r NewSample -o Sample.sdf</div>
|
|
|
267 <p>To retrive compounds from a SD file with a specific set of values for MolID and
|
|
|
268 generate a new SD file NewSample.sdf, type:</p>
|
|
|
269 <div class="ExampleBox">
|
|
|
270 % ExtractFromSDFiles.pl -m datafieldbylist -d "Mol_ID,159,4509,4619"
|
|
|
271 -r NewSample -o Sample.sdf</div>
|
|
|
272 <p>To retrive compounds from a SD file with values for MolID not on a list of specified
|
|
|
273 values and generate a new SD file NewSample.sdf, type:</p>
|
|
|
274 <div class="ExampleBox">
|
|
|
275 % ExtractFromSDFiles.pl -m datafieldnotbylist -d "Mol_ID,159,4509,4619"
|
|
|
276 -r NewSample -o Sample.sdf</div>
|
|
|
277 <p>To retrive 10 random compounds from a SD file and generate a new SD file RandomSample.sdf, type:</p>
|
|
|
278 <div class="ExampleBox">
|
|
|
279 % ExtractFromSDFiles.pl -m randomcmpds -n 10 -r RandomSample
|
|
|
280 -o Sample.sdf</div>
|
|
|
281 <p>To retrive compound record number 10 from a SD file and generate a new SD file NewSample.sdf, type:</p>
|
|
|
282 <div class="ExampleBox">
|
|
|
283 % ExtractFromSDFiles.pl -m recordnum --record 10 -r NewSample
|
|
|
284 -o Sample.sdf</div>
|
|
|
285 <p>To retrive compound record numbers 10, 20 and 30 from a SD file and generate a new SD file
|
|
|
286 NewSample.sdf, type:</p>
|
|
|
287 <div class="ExampleBox">
|
|
|
288 % ExtractFromSDFiles.pl -m recordnums --record 10,20,30 -r NewSample
|
|
|
289 -o Sample.sdf</div>
|
|
|
290 <p>To retrive compound records between 10 to 20 from SD file and generate a new SD
|
|
|
291 file NewSample.sdf, type:</p>
|
|
|
292 <div class="ExampleBox">
|
|
|
293 % ExtractFromSDFiles.pl -m recordrange --record 10,20 -r NewSample
|
|
|
294 -o Sample.sdf</div>
|
|
|
295 <p>
|
|
|
296 </p>
|
|
|
297 <h2>AUTHOR</h2>
|
|
|
298 <p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
|
|
|
299 <p>
|
|
|
300 </p>
|
|
|
301 <h2>SEE ALSO</h2>
|
|
|
302 <p><a href="./FilterSDFiles.html">FilterSDFiles.pl</a>, <a href="./InfoSDFiles.html">InfoSDFiles.pl</a>, <a href="./SplitSDFiles.html">SplitSDFiles.pl</a>, <a href="./MergeTextFilesWithSD.html">MergeTextFilesWithSD.pl</a>
|
|
|
303 </p>
|
|
|
304 <p>
|
|
|
305 </p>
|
|
|
306 <h2>COPYRIGHT</h2>
|
|
|
307 <p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
|
|
|
308 <p>This file is part of MayaChemTools.</p>
|
|
|
309 <p>MayaChemTools is free software; you can redistribute it and/or modify it under
|
|
|
310 the terms of the GNU Lesser General Public License as published by the Free
|
|
|
311 Software Foundation; either version 3 of the License, or (at your option)
|
|
|
312 any later version.</p>
|
|
|
313 <p> </p><p> </p><div class="DocNav">
|
|
|
314 <table width="100%" border=0 cellpadding=0 cellspacing=2>
|
|
|
315 <tr align="left" valign="top"><td width="33%" align="left"><a href="./ExtractFromPDBFiles.html" title="ExtractFromPDBFiles.html">Previous</a> <a href="./index.html" title="Table of Contents">TOC</a> <a href="./ExtractFromSequenceFiles.html" title="ExtractFromSequenceFiles.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>ExtractFromSDFiles.pl</strong></td></tr>
|
|
|
316 </table>
|
|
|
317 </div>
|
|
|
318 <br />
|
|
|
319 <center>
|
|
|
320 <img src="../../images/h2o2.png">
|
|
|
321 </center>
|
|
|
322 </body>
|
|
|
323 </html>
|
