LigandScout 2.0
Main Program Features
Program features
-
Automatic interpretation of PDB ligands using geometry, dictionaries and rules
- State-of-the-art user interface with advanced 3D graphics and undo-function
- 2D view and hierarchical view directly linked to 3D interface
- Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, shared feature pharmacophores can be derived to understand and model the relevant mode of action
- Advanced handling of co-factors, ions, water molecules and covalently bound ligands
- Pharmacophore export to Catalyst(tm), MOE(tm) and Phase(tm) for virtual screening
- Extensive parameter control for more experienced users
- Advanced PDB ligand perception and easy manual correction while modeling in the active site
- Ability to treat co-factors and water molecules as part of the ligand or part of the macromolecule
- Intuitive pharmacophore-based alignment of molecules
- Support for most common file formats
- Sophisticated file and repository management of edited and stored binding sites, molecules and pharmacophores
More information on program features can be found on the
LigandScout product flyer (PDF format).
System requirements
- at least 512 MB RAM (1 GB recommended)
- One of the following operating systems: Windows XP, Windows Vista, MacOS X Leopard (10.5), Tiger (10.4) or higher with installed Java 1.5 runtime environment
- Hardware-accelerated 3D graphics card (NVIDIA or ATI recommended) with OpenGL 1.2 support
