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ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
Creative Commons Attribution 4.0 International
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Molfile format problems with polymers #1671

Open muthuvenkat opened 14 years ago

muthuvenkat commented 14 years ago

My colleague Oliver and I are using the ChEBI database as a structure repository for the Microme project. I hope that you don't mind if we would send you reports about some problems that we encountered during our work.

For instance, I have found 38 structures that have an undefined atom - no atom symbol information.The 38 structures are all polymers or graphite.

I attached the SDF file with the 38 structures to this email.

Best regards,

Bruno Bienfait 


It would be handy if this could be fixed for the next release. Basically there seems to be a phantom atom but I'm not sure why.

Ps: I'll send this to Nico as he has most experience with polymers.

Reported by: pauladematos
muthuvenkat commented 14 years ago

CheBI_empty_atom.sdf.zip

Original comment by: pauladematos