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.
