The new VEGA ZZ 3.0.2 for Windows and VEGA 3.0.2 for Linux (command line version) are available for download. The new features are:
- Build 3D molecules by IUPAC name (powered by OPSIN).
- Merck MMD database management (read only).
- Spillo RBS saver.
- SketchEl editor was replaced by Ketcher, because it have some problems with the latest JVMs.
- Added the capability to download and open molecules by URL (both ZZ and command line versions).
- Added the capability to open more than one molecule when you analyze a trajectory.
- Now you can copy & paste URL and VEGA download the molecule for you.
- Fix: access violation when VEGA ZZ is closed.
- New system variable: TorRealMolAct.
- New extended commands: DbGetMolName, DbSetMolName, DbSortMolNames, DbSqlExec.
- New scripts: CalculationAPBS membrane energy.c (Evaluate the energy required by a molecule to leave the hydration shell and to reach a biological membrane), CalculationAPBS solvation energy.c (Evaluate the solvation energy), PubChemDatabase renameBy CID.c (rename all molecules in a database by CID), PubChemDatabase renameBy IUPAC.c (rename all molecules in a database by IUPAC), PubChemDatabase renameBy name.c (rename all molecules in a database by the most common PubChem name), PubChemDownloadMultiple by CID.c (get multiple 3D structures from PubChem by specifying their CIDs), PubChemDownloadMultiple by name.c (get multiple 3D structures from PubChem by specifying their names), PubChemDownloadSingle by CID.c (get a molecule from PubChem specifying its CID), PubChemDownloadSingle by name.c (get a molecule from PubChem specifying its name), PubChemGetCID.c (obtain the CID code of the current molecule from PubChem), PubChemGetIUPAC name.c (obtain the IUPAC name of the current molecule from PubChem), PubChemGetMultiple IUPAC names.c (obtain the IUPAC names of some molecules by specifying their CID), PubChemGetName.c (obtain the name of the current molecule from PubChem), PubChemGetXLogP.c (get the XLogP value of the current molecule from PubChem), QSAREnrichment analysis.c (analyze the enrichment factors in order to perform a virtual screening setup), QSARModel validator.c (validate a QSAR model).
- The command line version now can convert the trajectories to different formats.
- WakeUp, WakeUpServer and WakeUpService tools are now included in the package. They allow the remote PCs to be turned on by Wake On Lan standard even if you aren't in the local network.
- Increased SSE support in HyperDrive library with significant performance improvements.
Click here to download the new package
