Drug Design Laboratory



Dipartimento di Scienze Farmaceutiche
Università degli Studi di Milano
Via Luigi Mangiagalli, 25
I-20133 Milano - Italy


RSS feed


VEGA ZZ 3.1.0 for Windows and VEGA 3.1.0 for Linux
December 15, 2015

The new VEGA ZZ 3.1.0 for Windows and VEGA 3.1.0 for Linux (command line) are available for download. Here is the list of the new features:

  • Added the possibility to export a database in CSV format.
  • Added the support to manage Microsoft Access 2007 (.accdb) databases.
  • Added the use of atom constraints for Mopac calculations (Mopac2007 or greater is required).
  • Fingerprint search and comparison in Database explorer.
  • Fix: flexible torsion count.
  • Fix: small bug in NAMD calculation.
  • New extended commands: Fingerprint, FpSimilarity, WksCpyAtm, OpenDatatDir.
  • New scripts: DatabaseCount functional groups.c (count the number of functional groups of each molecule included in a database), DockingContact surface.c (measure the ligand (receptor contact surface), DockingRescore+,c (evaluate docking poses with different scoring functions), Homology modelling servicesFUGUE.htm (easy access to FUGUE server), Homology modelling servicesI-TASSER.htm (easy access to I-TASSER server), Homology modelling servicesPhyre 2.htm (easy access to Phyre 2 server), Homology modelling servicesROBETTA.htm (easy access to ROBETTA server), Homology modelling servicesSWISS-MODEL.htm (easy access to SWISS-MODEL server), QSARData normalizer.c (normalize the column values in 0-1 range), QSARPrincipal component analysys.c (perform the PCA of a given dataset), TrajectoryAPBS trajectory.c (calculate the APBS solvation energy for each trajectory frame).

Click here to download the new packages