Motif

Motif expands Accelrys' toolset for crystal engineering efforts. It is a tool designed to analyze connectivity information in molecular crystals, providing a qualitative and quantitative analysis method of hydrogen bond topologies. Combined with the predictive capabilities of Polymorph , Motif allows for categorization and statistical scoring of proposed structures. Motif interfaces with the Cambridge Structural Database (CSD) exploiting Cambridge Crystallographic Data Centre's (CCDC) Mercury functionality. Motif answers the important question: Do molecules with comparable architecture crystallize in similar bonding configurations as a proposed new structure?

Motif allows for

• Simple selection of motifs for query building
• Scoring function based on Taminoto coefficients
• Scoring against CSD entries or against input list, i.e. Polymorph output
• Re-use previous CSD search results
• Client-server architecture for CSD access across your organization