I am encountering the following problem with the rdkit postgresql cartridge:
The smiles below can be inserted to a table as a datatype mol. I can calculate
fingerprints on it, no problem. is_valid_smiles() returns true, mol_numatoms()
works.
But when I try to retrieve the structure I get the error:
#ERROR: makeMolText: Unknown exception
which causes backups of the database using pg_dump to fail. This is with RDKit
version 2012_12_1 and postgresql 9.1.5
The problematic Smiles is:
"C1CC2CC3C45C2C2C6C7C8C9C%10C(C1)C1C%11%10C%109C98C87C76C42C24C65C3C3C56C64C4%12C72C28C79C8%10C9%11C1C1C%109C98C87C42C24C7%12C%116C65C3C3C56C6%11C%117C74C4%12C82C29C8%10C1C1C98C42C24C89C1C1C98C84C4%10C%122C27C7%11C%116C65C3C3C56C6%11C%117C42C24C7%11C%116C65C3C3C56C6%11C%117C74C4%12C%102C28C89C1C1C98C42C24C89C1C1C98C84C4%10C%122C27C7%11C%116C65C3C3C56C6%11C%117C42C24C7%11C%116C65C3C3C56C6%11C%117C74C4%12C%102C28C89C1C1C98C42C24C89C1CC8C4C1C%122C27C4%11C76C65C3CC6C7C4C12"
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