OpenEye is pleased to announce the release of OpenEye Applications v2019.Apr. These applications include the usual support for Linux, macOS, and Windows.
- A new compressed file format, OEZ, is now available in OpenEye applications.
- The Windows installer now uses an upgraded MSI installer.
- All applications and ancillary programs are built on OpenEye Toolkits v2019.Apr libraries.
OEZ compressed file format
A new compressed file format, OEZ, has been introduced in OEChem TK. This format uses the Zstandard algorithm to efficiently compress individual multi-conformer molecules, making it well-suited to work with OEMolDatabase for fast read-only random access to molecules. Users can now use OEZ as the output format for OMEGA and as the input format for ROCS and FastROCS. For more details, see the Compressed Input and Output section of the OEChem TK documentation.
Note: This new file format is not backwards compatible. OpenEye applications and toolkits released before April 2019 will not be able to read or write this file format.
The OpenEye Applications package now uses an upgraded MSI installer. This allows administrators to perform a silent installation if MS-MPI is already installed.
OpenEye Toolkits libraries
All OpenEye applications are now built using OpenEye Toolkits v2019.Apr. The previous versions were built using OpenEye Toolkits v2018.Oct.
- MPI support for OpenEye applications on Linux and macOS is now based on Open MPI version 4.0.0.
- GUI applications in the OpenEye applications bundle—vROCS, vBROOD, MakeReceptor, and pKa-Prospector—are not available on RHEL6. The RHEL6 package only includes command line tools.
- This is the last release to support RHEL6.
- This is the last release to support Windows 7.
- Ubuntu 14 is no longer supported.
- macOS 10.11 and 10.12 are no longer supported.
See Platform Support for full and specific details.
OpenEye Applications v2019.May are now available for download. Existing licenses will continue to work, but if a new license is required, please contact your account manager or email email@example.com.
Please see the Release Notes for full and specific details on improvements and fixes.
About OpenEye Scientific
OpenEye Scientific is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Cologne, and Tokyo. It was founded in 1997 to develop large-scale molecular modeling applications and toolkits. Primarily aimed towards drug discovery and design, areas of application include:
- Structure Generation
- Shape Comparison
- Fragment Replacement
The software is designed for scientific rigor as well as speed, scalability, and platform independence. OpenEye makes most of its technology available as toolkits—programming libraries suitable for custom development. OpenEye software typically is distributable across multiple processors and runs on Linux, Windows, and macOS.
For additional information