Video Tutorials

Summary of Video Tutorials   |   视频教程总结

  1. A Quick Introduction   |   用于构建镧系元素配合物的软件快速介绍

  2. Easy Start Guide   |   简单的入门指南

  3. Requesting a Free License Key
    • To obtain a free license, simply install and run the software. 
      On the top left corner of the Complex Build window, you will see a series of buttons, including the “Request a license” button with the white key icon, as shown below.

      Click on it, and follow the instructions.
      Promptly, you should receive an e-mail with a six character code.
      Now, click on the “Validate the license” button with the black key icon, and enter the six character code.

      That is it. Enjoy!
      Unfortunately, sometimes, when the free license is requested, or when the form is filled, nothing happens.
      Something, probably a firewall, is blocking communication with our server.
      In this case, please send us an e-mail to requesting a free one-year license. We will happily send you a reply with the requested free license, as attached files, within a couple of days. In the meantime, please enjoy your 7-day trial.

  4. Selecting a Set of Ligands to Build the Complex   |   选择一组配体以构建综合体
    • Denticity Choice
    • Select Ligands one-by-one
      • By the Short Identifier
      • By the Molecular Formula
      • By the Name
      • By the Charge
      • By a Combination of Options
      • Viewing Ligand
      • How to Add a New Ligand to the Complex
      • Removing Ligands from the List of Selected Ligands

  5. Favorites   |   如何将配体添加到最喜欢的配体列表中
    • Creating a List of Favorite Ligands
    • Removing a Ligand from the List of Favorites
    • Displaying the List of Favorite Ligands

  6. How to Add a New Ligand to the Database   |   如何将新配体添加到数据库
    • Managing the Database
    • Renaming the Short Identifier
    • Removing a Ligand from the Database
    • Reseting the Database

  7. Saving Computational Chemistry Input Files
    • For Only One Stereoisomer
      • Specifying a Mopac Lanthanide Model
    • For a Set of Stereoisomers
      • Specifying Point Groups
      • Specifying the Computational Chemistry Input File Type
      • Changing the Ligands Abbreviation

  8. Opening a Computational Chemistry Input File

  9. Saving a Session

  10. Loading a Session

  11. Appearance
    • Rotating the Structure
    • Zooming the Structure In and Out
    • Resizing Atoms
    • Hiding Hydrogens Atoms Bound to Carbon in Organic Ligands
    • Changing the Molecular Graphic Representation
    • Changing the Background Color
    • Displaying the Complex Elliptic Envelope
    • Displaying the Coordination Polyhedron Elliptic Envelope
    • Displaying a Coordinating Bond Lenght
    • Switching between Enantiomers
    • Saving an Image of the Stereoisomer

  12. The Complex Build Algorithm   |   构建镧系元素配合物的算法
    • Ligand Degrees of Freedom
    • Hinge Angles
      • Orientation
      • Distance
      • Placement
      • Shape
    • Geometry Optimization
      • Minimizing
        • Coordination Warp
        • Steric Congestion
        • Crowding
      • Stopping Optimization
      • Reoptimizing Structure
    • Parameters for Geometry Optimization
      • Hinge Angles Only. Orientation, Distances, Placement, and Shape Choice are Conserved
      • Orientation and Distances Only. Placement and Shape Choice are Conserved
      • Orientation and Placement. Shape Choice is Conserved
      • Orientation and Placement. Shape Choice is Conserved. Global Minimum Search
        • Select a Shape
          • Ligand Placement Default
            • Select a Point Group
              • Select a Specific Permutation
          • Choosing the Ligands' Placements
            • Placing a Monodentate Ligand
            • Placing a Bidentate Ligand
            • Binding a Ligand
            • Autobinding Ligands
            • Reseting the Ligands' Placements
      • Orientation, Placement, and Shape
      • Orientation, Placement, and shape. Global minimum search