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

[Andrius Merkys]

Dear Hiromu,

you may download the whole SMILES file (allcod.smi) or its parts from http://www.crystallography.net/cod/smi/. You may also use Subversion protocol to obtain these files from svn://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
>
> Phone +81-75-961-1151 <tel:+81%2075-961-1151>, Fax +81-75-962-9314 <tel:+81%2075-962-9314>
>
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-- 
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7, room V325
LT-10257 Vilnius, Lithuania

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