Full Interaction Maps displayed around the molecular structure of anastrozole (left; CSD refcode SATHOL) and around a simulated particle based on the crystal structure of cipamfylline (right; CSD refcode MOVYEC)
Want to know more about this technology?
- Learn how Eli Lilly applied Full Interaction Mapping to solid form analysis in the November 2014 edition of our newsletter, Crystalline.
- Discover two applications using the Full Interaction Mapping tool:
In addition to the new Full Interaction Mapping tool, you will find extended capabilities in Mogul – the intramolecular geometry assessment program within the CSD System. Whether accessed from its standalone GUI or through the interface in Mercury, Mogul is now able to assess fused and non-fused ring conformations. Since, at least half of the structures in the CSD contain a fused ring system, this capability will significantly increase the proportion of observed ring conformations that you can assess using the Mogul ring analysis feature.
Molecular structure of 8-Methyl-15-oxo-14,16-cyclopimaran-3-yl 3,5-dinitrobenzoate including a fused ring system for which Mogul can assess the bonds, angles, torsions and now also rings (CSD refcode MINVOV)
Finally, strong user input requesting digital download for new versions guided our decision to make the CSD System release available primarily as a digital download from the CCDC web servers. Not only is this more convenient for our users, it is also good for our environmental carbon footprint!
If you have any feedback about this year’s CSDS release, please contact us through email@example.com
. We are also planning to run a short user survey early in the New Year to capture your thoughts on the release once you have had some time to try out the new features.
Pete Wood, Product Manager for the CSD System