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kienerj / pycdxml

Tools to automatically convert and proccess cdx and cdxml files in python
GNU General Public License v3.0
38 stars 5 forks source link

Parsing cdxml #33

Closed liushili0319 closed 1 year ago

liushili0319 commented 1 year ago

Hi~ I am trying to parse a chemical generation route using Rdkit, and I want to know if Rdkit can parse the complete route without losing information，Can you tell me？ Thanks

kienerj commented 1 year ago

best to ask in the RDKit Discussion forum on github. This extension here focuses on molecules. Reactions are not supported.