Chemical product library & management software
This software includes lots of features. Main objective is to involve a maximum of people around a single interface, avalaible from a browser. It's a freely OpenSource and powerfull tool based on existing OpenSource chemical softwares.
You can download and see documentation and sources on sourceforge : http://chemaztech.sourceforge.net
Main features :
- Manage chemical products (with structures, place of storage, references, experiment number...).
- Draw, Ã©dit structures with JChemPaint.
- See your molecules 3D with JMol, in 2D with JChemPaint (java) or with the python librairy OASA (SVG pictures)
- Search by sub-structures with MyChem.
- Automated threatment for mol properties, with Smiles codes, Inchi with MyChem.
- Import molecules from a single MOL file, or CDX (ChemDraw)** or all a database from a SDF file (eg : from ISIS/Base) **
- Extract CSV, export as PDF or XLS(X)...
- Manage storage and accounting.
- Manage users and groups and a visibility level for products
** These softwares are not OpenSource but are very usefull in chemistry.
Other softwares used by ChemAzTech are OpenSource, under GPL or LGPL for JMol and
JChemPaint (JChemPaint is associated to Chemistry Development Kit (CDK)).
Thus, I can use them as building blocks for ChemAzTech, without forgetting OpenBabel, which is an important component of MyChem and which I use to convert files CDX and the MOL into MOL2 for 3D visualization .
On plume : OpenBabel