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selcukorkmaz / PubChemR

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SDF downloaded are 2D SDF, not 3D #6

Open AdeFouchier opened 5 months ago

AdeFouchier commented 5 months ago

Hi, I've been trying to use the "get_sdf" or "download" functions to obtain SDF file from pubchem. However, the downloaded files are 2D SDF files. Is it not possible to get the 3D SDF file or am I missing something?

What I run :

PubChemR::download(outformat = "SDF",
                   identifier = 6549)

Thanks in advance for your help!

Arthur

dncR commented 5 months ago

Hello @AdeFouchier. We are working on a major release of PubChemR package, which will be likely to released by July, 2024. We will work on your comment and include function (or argument) to download 3D SDF files, if possible. Currently, PubChemR seems unable to download 3D SDF files.

Best,

AdeFouchier commented 5 months ago

Many thanks for your response.

Looking forward to the release then !

Best,

Arthur

dncR commented 3 months ago

Dear @AdeFouchier,

Major release of the package is ready to use. You can take a look. If you have further questions, please let us know.

Best,

Dincer.