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


 

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VEGA ZZ 3.2.2 for Windows and VEGA 3.2.2 for Linux
March 22, 2022

 The new VEGA ZZ 3.2.2 for Windows and VEGA 3.2.2 for Linux (command line) are available for download. Here is the list of the new features:

  • VEGA breaks the barrier of 64 logical CPUs supporting multiple NUMA nodes and processor groups.
  • Added MetaClass scripts to predict metabolic reactions of a given molecule or of a set of molecules according to MetaQSAR rules.
  • Added -NH2 as C-terminus type of capping when you build a peptide.
  • Added -z option to the command line version to specify the capping of N- and C- terminus residues when you build a peptide.
  • Fix: mol2 loader.
  • New scripts: DockingGOLD score extractor.c (extract the docking score of each pose from the mol2 file generated by GOLD).
  • Updated gl2ps library to 1.4.2.
  • Updated Opsin to 2.6.0 release.

Click here to download the new packages.