[Cod-bugs] Question on missing sdf file for COD entry

[Chenghua Shao]

Thanks Antanas!

=============================================
CHENGHUA SHAO, Ph.D.
Scientific Software Developer, RCSB Protein Data Bank
Assistant Research Professor, Institute for Quantitative Biomedicine
Rutgers, The State University of New Jersey
174 Frelinghuysen Road, Piscataway NJ 08854
P: 848.445.4968 | E: chenghua.shao at rcsb.org
rcsb.org <www.rcsb.org> | iqb.rutgers.edu | facebook 
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<https://doi.org/10.1093/glycob/cwab039>
On 4/29/23 11:51, Antanas Vaitkus wrote:
> Dear Chenghua Shao,
>
> Entry 2204850 is not included in the SDF set since it was recognised 
> as a polymeric molecule (a molecule that spans an infinite number of 
> unit cells). Sadly, the CIF to SDF conversion software that we use is 
> currently not able to process such entries.
>
> Hope this helps.
>
> Sincerely,
> Antanas Vaitkus
>
> On Sat, 29 Apr 2023 at 18:46, Chenghua Shao 
> <chenghua at rcsb.rutgers.edu> wrote:
>
>     Hi,
>
>     Could you please let me know under what condition the sdf file for
>     a COD entry is missing? e.g.
>     2204850 is a valid entry, but there is no sdf file at
>
>     https://molecules.crystallography.net/cod/sdf/2/20/48/2204850.sdf
>
>     Thanks!
>
>     -- 
>     =============================================
>     CHENGHUA SHAO, Ph.D.
>     Scientific Software Developer, RCSB Protein Data Bank
>     Assistant Research Professor, Institute for Quantitative Biomedicine
>     Rutgers, The State University of New Jersey
>     174 Frelinghuysen Road, Piscataway NJ 08854
>     P: 848.445.4968 | E: chenghua.shao at rcsb.org
>     rcsb.org <http://www.rcsb.org> | iqb.rutgers.edu
>     <http://iqb.rutgers.edu> | facebook
>     <https://www.facebook.com/RCSBPDB> | twitter
>     <https://twitter.com/buildmodels> | PDB-Carbohydrate
>     <https://doi.org/10.1093/glycob/cwab039>
>
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> -- 
> Antanas Vaitkus,
> Vilnius University,
> Life Sciences Center,
> Institute of Biotechnology,
> room C521, Saulėtekio al. 7,
> LT-10257 Vilnius, Lithuania
>
>
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