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Main Page | Graphical User Interface | Computational Methods
Tasks Performed | Properties Calculated | Pricing
User's Guide and Tutorial (pdf) | Maintenance | Trident Data Sheet (pdf)

The Trident Graphical User Interface. A single, fully-integrated, and easy to use interface provides medicinal chemists with tools for building (Organic and Substituent model kits) and importing structures (common molecular file types), database query (access to provided Spartan Molecular Database collection, the Cambridge Structural Database <requires license>, and the Protein Databank), task submission (a single calculations dialogue accesses all computational and graphics requests), and visualization of results (Trident graphics, property and similarity dialogues, spreadsheets, plots, and text output).
   
Model Kits:  
  Organic
Accesses a builder consisting of organic elements and common bond types (e.g., "sp3 carbon"), functional groups, rings, and custom menus accessing provided libraries of common substructures and the ability to add your own libraries.
     
  Substituent Provides tools for easily constructing libraries of substituted systems by adding common functional groups or your own custom groups at selected positions on a common molecular scaffold.
     
  Building Trident provides easy to use Menu or Icon driven modes for adding fragments, deleting, making bonds, breaking bonds, inserting non-bonded fragments or molecules.
     
  Graphical Displays:  
     
  Molecule Display Trident includes several display styles for visualizing molecules: wire, ball-and-wire, tube, ball-and-spoke, and space filling models.
     
  Hydrogen Bonds Optional display of hydrogen inter- and intra- molecular hydrogen bonds are available.
     
  Biopolymers Secondary structures for Polypeptides and polynucleotides can be optionally rendered with "ribbon" displays, lines, or beads. Colors may be configured to emphasize strand, secondary structure, or residue type.
     
  Chemical Function Descriptors Trident can graphically display chemical function descriptors (CFD's), identifying hydrogen bond acceptors and donors, positive and negative ionizable centers, aromatic rings, and hydrophobes. Users can vary CFD definitions.