
Enlarge - Lowest energy conformers of a drug molecule
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Conformers
Conformers provides conformational search algorithms and associated analysis tools, allowing you to characterize molecular conformation and flexibility, and gain insight into geometric and energetic properties. Conformers in Materials Studio allows scientists to probe geometry-property relationships that will find application in many fields including crystallization, catalysis, and polymer studies.
Conformers allows you to:
- Generate different molecular conformers using Systematic Grid Scan, Boltzmann Jump, and Random Search methods
- Analyze conformations in a search file based on conformation number, energy radius or gyration, dipole moment, torsion angle, or cluster