[Molvis-list] VEGAZZ 2.0.8

Giulio Vistoli giulio.vistoli at unimi.it
Tue Mar 6 10:15:57 EST 2007

Dear all,

We are proud to announce that VEGA ZZ 2.0.8 is now available for download
at: http://www.ddl.unimi.it/vega/download.htm

***** Outstanding New Features ****

- Conformational analysis (grid scan, random search and Boltzmann jump).
- Cluster analysis of the trajectory files (cluster by coordinates, by
  torsion and by torsion RMSD).

**** New Features ****

- Mol2 multi-model trajectory saver.
- X-Plor PSF loader.
- ChemSol loader and saver.
- CML 1.0 & 2.0 loader and saver.
- PQR saver.
- CHARMM 22 force field for AMMP.
- Improved the rendering speed of solid surfaces with OpenGL 1.5 compliant
  graphic cards (2x time faster).
- Mopac 2007 support (not included in the package).
- PSF saver totally rewritten and new improper angle detection.
- HyperDrive K8 for AMD Opteron, Athlon 64/FX and Sempron 64 CPUs.
- 64 bit version of AMMP, ESCHER NG, InpMerge, PropKa, Top2Tem, Vega command
  line version, WarpBench, WarpGate, WarpKeyGen and WarpTel for Windows XP
  Professional x64 Edition, Windows Server 2003 x64 Editions and Windows
  Vista x64 Editions.
- Slow motion function converting a trajectory to a video stream.
- Gasteiger charges and the ATDL engine use the new parallel code.
- ATDL template cache for a faster atom typing.
- Added the possibility to compute manually the total charge in the Mopac
  dialog window.
- PowerNet plug-in: script description feature.
- Tutorials for most common molecular modelling problems.
- Fix: Excel driver.
- Fix: Gromos/Gromacs loading of very big files.
- Fix: connectivity merge.
- Fix: WarpGate access violation if an invalid host name is found in the
  configuration file.
- Auto-installation utility for the license file (LicInst).
- Updated the CPU detection to recognize the Intel Core 2 CPUs.
- AMMP 2.2.0.
- WarpGate 1.1.
- New extended commands: AmmpSetFF, AmmpUpdateFreq, CTorClear, CTorGet,
- New system variable: TotCTor.
- New scripts: Database logP.c (calculate the logP for each molecule in the
  database), SDF export.c (export a trajectory in a SDF database), Dump
  backbone torsions.c (dump the phi and psi backbone torsion values).
- InpMerge: utility to merge the CHARMM/NAMD parameter files.
- Italian localization of the setup procedure.
- Updated the gl2ps library to 1.3.2.
- Updated the libbzip2 library to 1.0.3.
- Updated the ziplib library to 1.0.1.
- Updated the zlib library to 1.2.3.
- Demo music remastered with surround effects.

**** Update procedure ****

If you installed the VEGA ZZ Live CD Creator uninstall it from the control
panel before the setup of the new release.

**** Other updated VEGA packages ****

VEGA 1.5.8 for Linux x86 32 bit
VEGA 1.5.8 for Linux x86 64 bit
VEGA 1.5.8 for AmigaOS
VEGA 1.5.8 Localization Pack

Best regards

              VEGA Developer Team 

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