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 3.2.1 for Windows and VEGA 3.2.1 for Linux
June 04, 2020

 The new VEGA ZZ 3.2.1 for Windows and VEGA 3.2.1 for Linux (command line) are available for download. Here is the list of the new features:

  • Experimental OpenVR rendering mode for HMD display with head tracking support.
  • Equirectangular 360° images taken with your panoramic camera (e.g. LG 105R, Insta 360, Samsung Gear, etc.) can be used as SkyBoxes. 3D equirectangular pictures (top/bottom) are also supported.
  • Now the color gradients for skyboxes are generated programmatically and the user can create them just editing a csv file.
  • Added number of angles, bonds and atom type occurrences to InfoXML output format.
  • Added the capability to assign formal charges.
  • Added Edit -> Remove -> Counterion menu item.
  • Peptide builder: now you can set the secondary structure for each aminoacid and specify the capping for both N- and C-terminus. BuildPept and SecStruct commands were updated to support these new functions.
  • Database Explorer: added two new functions (remove counterions & waters and keep only the largest molecule) when you put molecules into a database.
  • Rescore+ now can calculate also RPScore (only for proteins).
  • Pockets plug-in: added the capability to to rank the pockets by docking score calculated by PLANTS or Vina selecting one or more probe molecules.
  • Fix: access violation ionizing cyclic polyamines.
  • Fix: dialog placement with Windows 10.
  • Fix: drag & drop when you run VEGA ZZ with administrative privileges.
  • New script: BuildPeptide library.c (Build a library of peptides from a given peptide length and aminoacid composition), CalculationEQeq chargesEQeq non-periodic.c, CalculationEQeq chargesEQeq periodic Ewald.c, CalculationEQeq chargesEQeq periodic.c (calculate atomic charges by EQeq method).
  • New extended commands: MolDelete, SegDelete.
  • Removed obsolete tools: VEGA SE, VEGA WE, WarpGate, WarpKeyGen and WarpTel.
  • Removed Molinspiration scripts.
  • Removed obsolete scripts: CommunicationActiveSync VRML send.c,  CommunicationFTP put.r, IrDa CommunicationVRML send.c, CommunicationWeb server.r
  • Renamed scripts: Automatic model builder.c to Enrichment factor optimizer.c; Enrichment analysis.c to Enrichment factor analysis.c; Model builder.c to Enrichment factor optimizer (manual).c

Click here to download the new packages.