Molegro Virtual Docker handles all aspects of the molecular docking process from preparation of the molecules to determination of the potential binding sites of the target protein, and prediction of the binding modes of the ligands. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity.
What is new in this release:
- Support for custom coloring of molecules (atoms, residues, rings).
- Visualization of hydrogen bonds and electrostatic interactions can now be customized.
- Visualization settings (e.g. graphic styles, camera settings, custom coloring) is now stored in the workspace file (MVDML).
- PDB header information and SDF annotations are now imported and stored as part of the workspace.
- Improved parsing of PDB files (e.g. using PDB Compliancy information if available and refined thresholds for detecting covalent bonds).
- Minor bug fixes (see Release Notes for details).
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