Version 2005-03-03 of JOELib/JOELib2

Release Notes: This release allows the user to switch off the automatic aromaticity check and assignment. This allows using query input structures without complete aromatic systems. Several minor bugs were fixed.

Other releases

  •  03 Mar 2007 03:42

Release Notes: This release fixes E/Z isomerism detection from 2D/3D structures when no other information is provided.

  •  24 Jul 2006 16:37

Release Notes: This is a bugfix release correcting the SMILES parser and the descriptor helper.

  •  22 Feb 2006 00:03

Release Notes: Some bugs in the feature calculation were fixed. The ring loading now works properly.

Release Notes: This release allows the user to switch off the automatic aromaticity check and assignment. This allows using query input structures without complete aromatic systems. Several minor bugs were fixed.

  •  12 Feb 2005 09:32

Release Notes: This release consolidates the caller pipe for the protonation model, which caused problems for the SMARTS matching and the SDF export. The problems were caused by deleting hydrogen atoms during SMARTS matching or SDF export.

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