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<p class="MsoNormal">Hi!<br>
<br>
Firstly, thanks for an amazing repo and great documentation<span lang="EN-US">!</span><br>
<br>
<span lang="EN-US">I have recently downloaded COD using command:<br>
>wget http://www.crystallography.net/archives/cod-cifs-mysql.zip</span><br>
<span lang="EN-US">After unzipping I found cif and mysql directories – as expected.<br>
<br>
Looking at files in mysql entries I caught interest of smiles.txt file. This looks very useful for searching the molecules of interest, especially the organic ones, that I am interested. I assume this relates to this paper (<a href="https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0279-6">https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0279-6</a>),
is that correct?<br>
<br>
Counting entries in this file, however, I find the number of entries significantly smaller than the reported number of entries on the title page (“</span>Currently there are 494800 entries in the COD<span lang="EN-US">”):<br>
~/COD/mysql:> wc -l smiles.txt <o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">> 219646 smiles.txt<br>
<br>
Is this because the file is not being updated, or does that exclude entries that were unable to be converted into SMILES?<br>
<br>
Many thanks for your reply!<br>
<br>
Best wishes,<br>
Vladas<br>
<br>
P.S. Feel free to answer in Lithuanian, if preferred </span><span lang="EN-US" style="font-family:"Apple Color Emoji"">😊</span><o:p></o:p></p>
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