Engineer new materials
CSD-Materials helps you explore exciting new materials through analysing intra-and intermolecular interactions within the lattice, helping you to understand your material’s behaviours and refine its properties.
If you would like to become a user of CSD-Enterprise, simply follow this link.
Who can benefit from using CSD-Materials?
Solid form experimentalists looking to optimizethe solid form properties of a potential new product
Crystallizationscientists who want to engineer new compositions
Crystallographers who need to determine a structure from powder diffraction data
Educators wanting to demonstrate the importance of structural chemistry in materials science for their students
- Explore with Mercury
- Discover preferred intra- and intermolecular interactions and engineer changes to satisfy these requirements using Full Interaciton Maps
- Interpret crystal packing and compare with CSD data using powerful packing feature, similarity and motif searches, and hydrogen bond propensity analysis
- Understand the effects of hydration on your lattice with the new hydrate analyser
- Explore the structures of potential co-crystals using the new molecular complementarity tool
- Explore solid state molecular geometry using the new CSD-driven Conformer Generator – unique because all results are validated by all the latest experimental data from the CSD
- Communicate your results with new high impact graphics and 3D printing support, highlighting lattice void spaces and channels
- Determine structures with DASH
- Solve your powder crystal structure using CSD data
- Connect with the CSD Python API (Application Programming Interface)
- Create, or download from our portal, CSD-driven analyses and workflows. Publish them to your own menu in Mercury
What’s new for CSD-Materials 2017?
- In line with our quality and usability push, we’ve made a number of improvements based on work with our Crystal Form Consortium including:
- Enhancements to the graphical user interface for studying crystal packing similarity and dissimilarity
- Significant advances in the layout and usability of the Hydrogen Bond Propensity application
- Watch out, too, for new application videos for CSD-Materials, to help all users make the most of its powerful functionality.
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