fredrikw
commented
8 years ago Hi,
Is that lång SMILES string copied exactly? Because I don't think it's a valid SMILES. There are a few numbers that are not within the brackets, meaning that they should be ring closures. But as such they need to match and in your example you have a single one and a single two.
Kind regards, Fredrik
Skickat från min iPhone
5 apr. 2016 kl. 15:46 skrev hmpelta notifications@github.com:
Hi, I installed Mychem and it works normally if input string is n`t very long. for example : select MOLECULE_TO_CANONICAL_SMILES(SMILES_TO_MOLECULE("[CH4]")); works fine but if input smiles become: "[CH3]CH[NH]C(=O)[CH]1[CH2][CH2][CH2]CH[NH]C(=O)CH[NH]C(=O)[CH]2[CH2][CH2][CH2]CH[NH]C(=O)CH[NH]C(=O)CH[NH]C(=O)CH[NH]C(=O)CH[NH]C(=O)CHO[CH]3CHCHOCH[CH]3[NH]C(=O)[CH3]" . mychem returns :
ERROR 2013 (HY000): Lost connection to MySQL server during query I checked openbabel with this smiles and it returned true value . Your comments and suggestions are welcome. thanks in advance;
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hmpelta
Pansanel
paulo-maia
Hi, I installed Mychem and it works normally if input string is n`t very long. for example : select MOLECULE_TO_CANONICAL_SMILES(SMILES_TO_MOLECULE("[CH4]")); works fine but if input smiles become: smiles.pdf mychem returns :
ERROR 2013 (HY000): Lost connection to MySQL server during query I checked openbabel with this smiles and it returned true value . Your comments and suggestions are welcome. thanks in advance;