matteoferla/Fragmenstein

Continuous warning about Hs

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rsanchezgarc commented

Hi, every time I am using Igor I got this warning
[14:56:15] Molecule does not have explicit Hs. Consider calling AddHs()

matteoferla commented

Victor.capture_rdkit_log() stopped capturing because WrapLogs changed so switched to LogToPythonLogger.

This is however enabled when logging is interfered with:

  • Victor.enable_stdout(logging.CRITICAL) — affects all logs
  • Victor.capture_logs() — affects Rosetta and rdkit logs
  • Victor.capture_rdkit_log() — rdkit only