JOELib/JOELib2
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Project Release infomations and Project Resources. Note that these informations are from this projects Freecode.com page and the downloads themselves may not be hosted with SourceForge.JP.
Project Release Information2007-03-03 12:42 This release fixes E/Z isomerism detection from 2D/3D structures when no other information is provided. 2006-07-25 01:37 This is a bugfix release correcting the SMILES parser and the descriptor helper. 2006-02-22 09:03 Some bugs in the feature calculation were fixed. The ring loading now works properly. 2005-03-03 22:27 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. 2005-02-12 18:32 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. Project Resources
Project Description JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, and conversion of different chemical file formats. It is written in 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available. (This Description is auto-translated) |  |
