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<p>Dear Jiuyang,</p>
<p>I have fixed the problem with the search by SMILES/SMARTS, it
should work as expected now. Thanks again for the bug report.</p>
<p>As for the RESTful API, SMILES/SMARTS query may be passed using
'smarts' field, for example:</p>
<p><a class="moz-txt-link-freetext" href="http://www.crystallography.net/cod/result.php?smarts=c1ccccc1">http://www.crystallography.net/cod/result.php?smarts=c1ccccc1</a></p>
<p>I have also updated the COD Wiki page to include this piece of
information.</p>
<p>Best wishes,<br>
Andrius<br>
</p>
<div class="moz-cite-prefix">On 2019-06-12 21:26, J. Zhao wrote:<br>
</div>
<blockquote type="cite"
cite="mid:03da90f14549d5be01d64afef723395f@cam.ac.uk">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<p>Dear Andirus,</p>
<p>Thanks for your reply.</p>
<p>And one more thing, is there any way to query the database by
using a SMILES as parameter in the RESTful API?</p>
<p>I can only see parameters like COD id, 'Hill Notation' etc. <a
href="http://wiki.crystallography.net/RESTful_API/#index1h1"
moz-do-not-send="true">http://wiki.crystallography.net/RESTful_API/#index1h1</a></p>
<p>Thanks again.</p>
<p>Regards,</p>
<p>Jiuyang</p>
<p>On 2019-06-12 18:49, Andrius Merkys wrote:</p>
<blockquote type="cite" style="padding-left:5px;
border-left:#1010ff 2px solid; margin-left:5px"><!-- html ignored --><!-- head ignored --><!-- meta ignored -->
<div dir="auto">
<div>Dear Jiuyang,</div>
<div dir="auto"> </div>
<div dir="auto">Thanks a lot for the detailed description of
the problem. Indeed, the search is not working as it should
be. We will try to investigate and fix the problem as soon
as possible. For the time being you may use applet-based
substructure search (<a
href="http://www.crystallography.net/cod/jsme_search.html"
moz-do-not-send="true">http://www.crystallography.net/cod/jsme_search.html</a>).</div>
<div dir="auto"> </div>
<div dir="auto">Best regards,</div>
<div dir="auto">Andrius</div>
<div dir="auto"><br>
<div class="gmail_quote" dir="auto">
<div class="gmail_attr" dir="ltr">On Wed, 12 Jun 2019,
13:20 J. Zhao, <<a href="mailto:jz449@cam.ac.uk"
moz-do-not-send="true">jz449@cam.ac.uk</a>> wrote:</div>
<blockquote class="gmail_quote" style="margin: 0 0 0 .8ex;
border-left: 1px #ccc solid; padding-left: 1ex;"><span
style="text-decoration: underline;"></span>
<div style="font-size: 10pt; font-family:
Arial,Helvetica,sans-serif;">
<p>Hi Andrius,</p>
<p>Thanks for your reply.</p>
<p>So if you go to this url <a
href="http://www.crystallography.net/cod/search.html"
moz-do-not-send="true">http://www.crystallography.net/cod/search.html</a>,
at the second search box "Enter SMILES", enter "<span>c1ccccc1"
which is the SMILES for benzene.</span></p>
<p><span>Then click 'Search', then the new page will
tell you "Results: there are 402769 entries in the
selection". And whatever I entered in that search
box, it always return 402769 entires as result -
which is the total number of entries of COD.</span></p>
<p>So does it mean the SMILES search not working
properly? And is there a way to use RESTful API to
perform SMILES search?</p>
<p>The normal RESTful API page is here <a
href="http://wiki.crystallography.net/RESTful_API/#index1h1"
moz-do-not-send="true">http://wiki.crystallography.net/RESTful_API/#index1h1</a>,
and it doesn't say anything about search by SMILES.</p>
<p>Thanks again!</p>
<p>Regards,</p>
<p>Jiuyang</p>
<p>On 2019-06-12 10:29, Andrius Merkys wrote:</p>
<blockquote style="padding-left: 5px; border-left:
#1010ff 2px solid; margin-left: 5px;">
<div dir="auto">
<div>Hi Jiuyang,</div>
<div dir="auto"> </div>
<div dir="auto">Could you please provide a single
example of a query which you performed? I will
look into the issue then.</div>
<div dir="auto"> </div>
<div dir="auto">Best wishes,</div>
<div dir="auto">Andrius<br>
<br>
<div class="gmail_quote" dir="auto">
<div class="gmail_attr" dir="ltr">On Wed, 12
Jun 2019, 09:16 J. Zhao, <<a
href="mailto:jz449@cam.ac.uk"
moz-do-not-send="true">jz449@cam.ac.uk</a>>
wrote:</div>
<blockquote class="gmail_quote" style="margin:
0 0 0 .8ex; border-left: 1px #ccc solid;
padding-left: 1ex;"><span
style="text-decoration: underline;"></span>
<div style="font-size: 10pt; font-family:
Arial,Helvetica,sans-serif;">
<p>Hi,</p>
<p>I was trying to search for chemical
structures by SMILES. But whatever I
entered in the 'Enter SMILES' at <a
href="http://www.crystallography.net/cod/search.html"
moz-do-not-send="true">http://www.crystallography.net/cod/search.html</a>,
it just returned all the structures in
the database.</p>
<p>Could you please let me know how to
properly search by SMILES? And is there
a way to use RESTful API to search by
SMILES?</p>
<p>Many thanks!</p>
<p>Regards,</p>
<p>Jiuyang</p>
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