In conquest there is a "compound" field that we have used in the past to add details about in-house structures.  I cannot seem to find this attribute in the entry/crystal/molecule classes, does anyone know if it is available?

 

Thanks, Geoff.

 

 

 

Hi Geoff,

  I think you're after entry.chemical_name and/or entry.synonyms, as in ConQuest the name of the entry is found in the compound field.

So, for example

>>> from ccdc import io
>>> csd_reader = io.EntryReader('CSD')
>>> entry_abebuf = csd_reader.entry('ABEBUF')
>>> print entry_abebuf.chemical_name
5H,11H-Dibenzo(b,f)(1,5)diazocine-6,12-dione pyridine clathrate
>>> print entry_abebuf.synonyms
()

As in this case entry ABEBUF only has one name - if there are multiple trivial/common names these will appear in the synonyms field.

I hope that's what you're after!

 

Hi Seth,

 

Yes that's the one I was looking for.

 

Thanks, Geoff.

 

 

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