Grade2
1.4.1

Contents:

  • Introduction
  • Configuration & Testing
  • Usage
  • Examples
  • Outputs
  • Charging
  • Treatment of Planar Groups
  • Atom Naming Features
  • CSD compatibility
  • Grade Web Server
  • Difficult Chemical Groups
  • Comparison to EH99 Restraints
  • ChangeLog
  • Known Issues
  • FAQs
Grade2
  • Docs »
  • Grade2: Ligand Restraints
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Grade2: Ligand RestraintsΒΆ

Grade2 is a ligand restraint dictionary generation tool for refinement and fitting.

Contents:

  • Introduction
  • Configuration & Testing
  • Usage
  • Examples
  • Outputs
  • Charging
  • Treatment of Planar Groups
  • Atom Naming Features
  • CSD compatibility
  • Grade Web Server
  • Difficult Chemical Groups
  • Comparison to EH99 Restraints
  • ChangeLog
  • Known Issues
  • FAQs
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