| Re: Structure issues from smiles when opening text files [message #294 is a reply to message #290] |
Mon, 08 January 2018 22:35  |
thomas
Messages: 715
Registered: June 2014
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Senior Member |
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Dear Andrew,
thank you very much for the detailed bug analysis and report. I have found and corrected the problem in the source code. With more than 500 rows SMILES parsing switches from single thread to a multi-thread approach. Unfortunately, a molecule buffer was erroneously shared by those threads leading to unpredictable results. Since this is a severe problem, I will release an update in the next days...
Thomas
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