Structural Frameworks
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Overview
The Structure Frameworks plugin calculates Bemis and Murcko frameworks and other structure based reduced representations of the input structures.
Included frameworks:
- Bemis-Murcko framework
- Maximum common substructure (MCS)
- Largest ring
- All fused ring systems
- Largest fused ring system
- Smallest set of the smallest rings (SSSR)
- Complete set of the smallest rings (CSSR)
- Only pre/post process, no framework reduction