<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>John,</div><div>I notices that the Clustering and Diversity lists for subset 23 are broken. Here is what I tried to download:</div><div><br></div><div><a href="http://zinc.docking.org/subset1/23/23_t70.smi">http://zinc.docking.org/subset1/23/23_t70.smi</a></div><div><br></div><div>Here is the response:</div><div><br></div><div><span class="Apple-style-span" style="font-family: Times; ">Error 404 - file not found. <br>You are in a twisty website of broken documents, all alike...</span></div><div><br></div><div>Thanks,</div><div>Andrew Binkowski</div><br><div><div>On Jul 1, 2009, at 8:52 PM, John J. Irwin wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"> <div bgcolor="#ffffff" text="#000000"> Hi Andrew<br> <br> A new version of "drugs now" appeared on the website today and is ready for download. <br> <br> Here is the blog entry about it: <a href="http://docking.org/?q=node/118">http://docking.org/?q=node/118</a><br> <br> John<br> UCSF ZINC Team<br> <br> <br> T. Andrew Binkowski wrote: <blockquote cite="mid:3AC74FDF-E1FF-4B78-AB5F-325788AB1682@anl.gov" type="cite"> <div>Hi,</div> <div>I have a question on clarification of what 'single' and 'usual' mean and how to deal with them. Here is my scenario:</div> <div><br> </div> <div>In the 70% clustering "drugs now" subset, it lists the following compound:</div> <div><br> </div> <div>23_t70.smi -- C(C(F)(F)F)OC(F)F<span class="Apple-tab-span" style="white-space: pre;"> </span>ZINC01995123</div> <div><br> </div> <div>I downloaded the entire "drugs now - usual" subset and ZINC01995123 was not present. It was not present in the "single" subset either.</div> <div><br> </div> <div>If I use the wget techniques in the FAQ:</div> <div> <span class="Apple-tab-span" style="white-space: pre;"> </span>wget <a moz-do-not-send="true" href="http://zinc8.docking.org/fget2.pl?f=m&l=1&z=ZINC01995123">http://zinc8.docking.org/fget2.pl?f=m&l=1&z=ZINC01995123</a> returns nothing.</div> <div><span class="Apple-tab-span" style="white-space: pre;"> </span>wget <a moz-do-not-send="true" href="http://zinc8.docking.org/fget2.pl?f=m&l=0&z=ZINC01995123">http://zinc8.docking.org/fget2.pl?f=m&l=0&z=ZINC01995123</a> returns the molecule.</div> <div><br> </div> <div><br> </div> <div>So, my questions:</div> <div>1) Is this the correct behavior or an error for this particular compound?</div> <div>2) Are the 'usual' compounds only present for a subset of the single compounds (e.g. all compounds in zinc have a 'single' state, but not necessarily a 'usual' state?</div> <div>3) What is the best (most reliable) way to download a compound from a subset list? Download from single first and then check for 'usuals'? Or check for usual, if none, then download from single?</div> <div><br> </div> <div>Thanks,</div> <div>Andrew</div> <div><br> </div> <div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">----------------------------------------------------------------------------<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">T. Andrew Binkowski, Ph.D.<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">Center for Structural Genomics of Infectious Diseases &<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><st1:placetype w:st="on"><st1:place w:st="on"><st1:placename w:st="on"><font face="Times New Roman" size="2"><span style="font-size: 10pt;"> Midwest</span></font></st1:placename></st1:place></st1:placetype><font size="2"><span style="font-size: 10pt;"> <st1:placetype w:st="on">Center</st1:placetype> for Structural Genomics<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">Biosciences Division, <st1:place w:st="on">Argonne</st1:place> National Laboratory<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">9700 S. Cass Av. <st1:place w:st="on">Argonne</st1:place>, IL 60439<o:p></o:p></span></font></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">Telephone: 630-252-3927 Fax: 630-252-6991</span></font><o:p></o:p></div> <div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman';"><font face="Times New Roman" size="2"><span style="font-size: 10pt;">----------------------------------------------------------------------------</span></font></div> </div> <div><br> </div> <pre wrap=""><hr size="4" width="90%">
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