BIOVIAMaterials Science
Polymorph
BIOVIA Materials Studio Polymorph is used to predict potential polymorphs of a given compound directly from the molecular structure. It explores and ranks polymorphs of fairly rigid, non-ionic or ionic molecules. The approach is based on the generation of possible packing arrangements in all reasonable space groups to search for the low lying minima in lattice energy.
- Level
- Fundamental
- Length
- 4 hours
- Product
- Materials Studio
Topics covered
- Determination of Crystal Structures
- Theory Behind Polymorph Prediction
- Setting Up Polymorph Calculations
- Analyzing the Results
- Scripting with the Polymorph Module
- Applications
Before you start
Introduction to Materials Studio
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