Ascalaph Packages
Ascalaph provides a technical basis to develop packages optimized for specific tasks.
Main packages
Each next package includes all features of the previous one plus extra functions:
- Ascalaph Graphics provides the window interface and three-dimensional graphics for molecular modeling. Editing of the molecular geometry is also supported.
- Ascalaph Designer provides for the generation and editing of molecular models.
- Ascalaph Quantum is an interface for the quantum mechanics package.
- Ascalaph DNA is the program for creating the models of nucleic acids and complexes of nucleic acids with the ligands.
- Ascalaph DNA GPU is a hardware-accelerated version of Ascalaph DNA.
- Ascalaph Liquid is a program for molecular dynamics simulation in liquid phase with the explicit water molecules.
- Ascalaph Liquid GPU is a hardware-accelerated version of Ascalaph Liquid.
Features:
| Graphics | Designer | Quantum | DNA | Liquid | |
| 3D graphics | + | + | + | + | + |
| Geometry measurement and editing | + | + | + | + | + |
| Chain builder | + | + | + | + | |
| Mouse drawing | + | + | + | + | |
| Nano examples | + | + | + | + | |
| Quantum mechanics | + | + | + | ||
| Molecular dynamics | + | + | |||
| Periodic boundary conditions | + |