[Cod-bugs] How to download SMILES from COD?

[Andrius Merkys]

Dear Hiromu,

glad to hear it helped! Thanks for using the COD!

Best wishes,
Andrius

On 05/14/2018 09:16 AM, 江頭　啓 Hiromu Egashira wrote:
> Dear  Andrius,
>
> I truly appreciate your quick reply. I could download the SMILES file!
> Thank you again.
>
> Regards,
> Hiromu
>
> 2018-05-13 22:37 GMT+09:00 Andrius Merkys <andrius.merkys at gmail.com <mailto:andrius.merkys at gmail.com>>:
>
>     Dear Hiromu,
>
>     you may download the whole SMILES file (allcod.smi) or its parts from http://www.crystallography.net/cod/smi/ <http://www.crystallography.net/cod/smi/>. You may also use Subversion protocol to obtain these files from svn://www.crystallography.net/cod/smi <http://www.crystallography.net/cod/smi>.
>
>     Hope it helps,
>     Andrius
>
>     On 05/13/2018 04:02 PM, 江頭　啓 Hiromu Egashira wrote:
>>     Dear COD administrator, 
>>
>>     I'm Hiromu Egashira, computer chemist, belong to ONO Pharmaceutical in Japan. COD is quite useful for me to search ligand crystal data.
>>     I would like to search many compounds at once, so I would like to download the SMILES from COD. I found the page "Obtaining COD", but I couldn't find how to download SMILES. I think you have SMILES file, because you write "substructure search by SMILES is currently available in a subset of COD containing 160697 structures."
>>     I will appreciate if you could answer my question.
>>
>>     regards,
>>
>>     Hiromu
>>
>>     ----------------------------------------------------------------------------------------------------
>>
>>     Hiromu Egashira
>>
>>     Group Head, Group II, Medicinal Chemistry Laboratories III
>>
>>     ONO Pharmaceutical Co., Ltd.
>>
>>     3-1-1 Sakurai, Shimamoto-cho, Mishima-gun, Osaka <https://na01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmaps.google.com%2F%3Fq%3D3-1-1%2BSakurai%2C%2BShimamoto-cho%2C%2BMishima-gun%2C%2BOsaka%26entry%3Dgmail%26source%3Dg&data=02%7C01%7CKaren.Williams%40crl.com%7C08cdf87ea09a441d1afd08d58a5e1631%7C374f8930e1504031bb35483215fe5900%7C0%7C0%7C636567059072351027&sdata=nMmYFhEeBKNiM6R8oXrG4ADH%2BFoiaRRtVlNeC6NZH6k%3D&reserved=0> 618-8585, Japan
>>
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>>
>>     ----------------------------------------------------------------------------------------------------
>>
>>
>>
>>
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>
>     -- 
>     Andrius Merkys
>     Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325 <https://maps.google.com/?q=Saul%C4%97tekio+al.+7,+room+V325&entry=gmail&source=g>
>     LT-10257 Vilnius, Lithuania
>
>

-- 
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania

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