QSAR - VEGA1.5.1 release

From: Giulio Vistoli <giulio.vistoli%unimi.it>
Date: Mon, 22 Dec 2003 11:50:17 +0100

Dear all,

We are proud to announce the release of VEGA1.5.1 release that is freely
downloadable at www.ddl.unimi.it. Between the several new function we would
like to focus your attention on the capability to add the hydrogens, on the
complete 3D molecular editor with fragment libraries and on the database
engine.

New features:
- Chem3D loader.
- Accelrys archive file (.arc) support in the trajectory analysis.
- Capability to add the hydrogens.
- RMSD calculation in the trajectory analysis.
- CHARMM lipid and GRID force field templates.
- POPC lipid bilayer cluster in crystal and solid phase.

New OpenGL features:
- ESCHER NG and ESCHER NG Plugin: protein-protein and DNA-protein docking
system.
- Database engine for directory, sdf and zip files.
- Complete 3D molecular editor with fragment libraries.
- Multiple workspaces.
- Remove residue/s dialog box.
- Molecule place dialog box.
- Fix/merge molecules.
- Multiple Mini Editor and Graph Editor windows.
- Now the centroids can be updated dynamically or kept fixed.
- The residue renumbering is now available for all atoms and for the
selected atoms only.

Best regards

Giulio Vistoli & Alessandro Pedretti
Received on 2003-12-22 - 07:47 GMT

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