Nov 30
iBabel gives access to chemical file conversion, sub-structure searching, overlays, sorting and manipulation of lists of compounds, also include structure viewing capabilities, using JMOLand JChempaint. Provides a GUI to ChemSpotlight allowing searching your hard drive for chemical content.
What’s new in this version:
iBabel version 2.5, the key new feature is the ability to get the structures corresponding to CAS Numbers from PubChem. It uses the the Entrez Programming Utilities (eUtils). At the moment it requires Marvin or ChemDraw (not Leopard) to render the structures. If it proves useful I can look at adding further search facilities using PubChem. Full details are on the web page.
