Hello, I need some help from you.
Im trying to save an entire library from sdf to pdb, I have opened it on mercury, but I dont know how to save the whole database into a pdb file, I can just select molecules one by one...Could you help me with this please?
you can use the python API to do this. For example:from ccdc import iowith io.EntryReader('/path/to/file.sdf') as reader, io.EntryWriter('/path/to/file.pdb') as writer: for entry in reader: writer.write(entry)I hope this is helpful. Please come back to me if anything needs clarification.
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