https://wiki.biouml.org/index.php?action=history&feed=atom&title=SDF_file 2026-04-12T22:04:38Z Revision history for this page on the wiki MediaWiki 1.20.3 https://wiki.biouml.org/index.php?title=SDF_file&diff=8902&oldid=prev 2020-12-09T11:15:09Z

<p>Automatic synchronization with BioUML</p> <table class='diff diff-contentalign-left'> <col class='diff-marker' /> <col class='diff-content' /> <col class='diff-marker' /> <col class='diff-content' /> <tr style='vertical-align: top;'> <td colspan='2' style="background-color: white; color:black;">← Older revision</td> <td colspan='2' style="background-color: white; color:black;">Revision as of 11:15, 9 December 2020</td> </tr><tr><td colspan="2" class="diff-lineno">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>;File format title</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>;File format title</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>:SDF file</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>:SDF file</div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">;Element type</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">:{{Type link|Structure}}</ins></div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>;Plugin</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>;Plugin</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>:[[Biouml.plugins.chemoinformatics (plugin)|biouml.plugins.chemoinformatics (chemoinformatics plugin)]]</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>:[[Biouml.plugins.chemoinformatics (plugin)|biouml.plugins.chemoinformatics (chemoinformatics plugin)]]</div></td></tr> </table>

WikiBot https://wiki.biouml.org/index.php?title=SDF_file&diff=2670&oldid=prev 2013-05-07T07:13:08Z

<p>Plugin link added</p> <table class='diff diff-contentalign-left'> <col class='diff-marker' /> <col class='diff-content' /> <col class='diff-marker' /> <col class='diff-content' /> <tr style='vertical-align: top;'> <td colspan='2' style="background-color: white; color:black;">← Older revision</td> <td colspan='2' style="background-color: white; color:black;">Revision as of 07:13, 7 May 2013</td> </tr><tr><td colspan="2" class="diff-lineno">Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">;File format title</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">:SDF file</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">;Plugin</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">:[[Biouml.plugins.chemoinformatics (plugin)|biouml.plugins.chemoinformatics (chemoinformatics plugin)]]</ins></div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;"></ins></div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>=== SDF format ===</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>=== SDF format ===</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"></td></tr> </table>

WikiBot https://wiki.biouml.org/index.php?title=SDF_file&diff=697&oldid=prev 2013-04-04T09:28:30Z

<p>Protected &quot;<a href="/index.php/SDF_file" title="SDF file">SDF file</a>&quot;: Autogenerated page (‎[edit=sysop] (indefinite))</p> <table class='diff diff-contentalign-left'> <tr style='vertical-align: top;'> <td colspan='1' style="background-color: white; color:black;">← Older revision</td> <td colspan='1' style="background-color: white; color:black;">Revision as of 09:28, 4 April 2013</td> </tr></table>

WikiBot https://wiki.biouml.org/index.php?title=SDF_file&diff=696&oldid=prev 2013-04-04T09:28:30Z

<p>Added &#039;Autogenerated pages&#039; category</p> <table class='diff diff-contentalign-left'> <col class='diff-marker' /> <col class='diff-content' /> <col class='diff-marker' /> <col class='diff-content' /> <tr style='vertical-align: top;'> <td colspan='2' style="background-color: white; color:black;">← Older revision</td> <td colspan='2' style="background-color: white; color:black;">Revision as of 09:28, 4 April 2013</td> </tr><tr><td colspan="2" class="diff-lineno">Line 49:</td> <td colspan="2" class="diff-lineno">Line 49:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>[[Category:File formats]]</div></td><td class='diff-marker'>&#160;</td><td style="background: #eee; color:black; font-size: smaller;"><div>[[Category:File formats]]</div></td></tr> <tr><td colspan="2">&#160;</td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div><ins style="color: red; font-weight: bold; text-decoration: none;">[[Category:Autogenerated pages]]</ins></div></td></tr> </table>

WikiBot https://wiki.biouml.org/index.php?title=SDF_file&diff=388&oldid=prev 2013-04-04T08:24:50Z

<p>Automatic synchronization with BioUML</p> <p><b>New page</b></p><div>=== SDF format ===<br /> <br /> Structure Data Format (SDF) is a format developed by Molecular Design Limited (MDL). SDF files, also known as SD Files, are simple, ASCII text files that adhere to a strict format for representing multiple chemical structure records and associated data fields.<br /> <br /> ==== Example ====<br /> <br /> NSC 2582<br /> ccorina 04030319113D 1 1.00000 0.00000<br /> CORINA 2.61 0041 25.10.2001<br /> 15 15 0 0 0 0 0 0 0 0 1 V2000<br /> 1.1439 4.1903 0.0129 I 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2406 -0.9733 -0.0437 I 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2668 -2.7741 -0.0242 I 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0169 1.3924 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1702 2.0955 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2245 -0.6795 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3787 1.4201 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4054 0.0368 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2648 -0.7631 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2451 -1.9777 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4421 -0.1086 0.0253 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9587 1.9207 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3049 1.9756 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2716 -0.6056 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 5 1 0 0 0 0<br /> 2 9 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 4 6 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 4 13 1 0 0 0 0<br /> 5 8 1 0 0 0 0<br /> 6 7 2 0 0 0 0<br /> 6 10 1 0 0 0 0<br /> 7 9 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 8 14 1 0 0 0 0<br /> 10 12 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 12 15 1 0 0 0 0<br /> M END<br /> &gt; <br /> 2582<br /> <br /> $$$$<br /> ==== References ====<br /> <br /> # [http://www.epa.gov/ncct/dsstox/MoreonSDF.html http://www.epa.gov/ncct/dsstox/MoreonSDF.html]<br /> <br /> [[Category:File formats]]</div>

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