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OpenEye Toolkits v2014.Jun released(ENP Newswire Via Acquire Media NewsEdge) ENP Newswire - 24 June 2014 Release date- 23062014 - OpenEye is pleased to announce the release of the OpenEye Toolkits v2014.Jun. This version features important new capabilities in the Szybki and Omega toolkits, support for new platforms (RHEL 7 and Ubuntu 14.04), and numerous stability enhancements. In response to popular request, the C# toolkits are now available by default to all toolkit users. Existing users may require an updated license file to access the C# toolkits. To determine if you already have access to the C# toolkits, look for the 'python;java;clr' feature in your toolkit license key. If only 'python;java' is listed, you will need a new license file. Please contact us to obtain a new license file if required. The toolkits are available for download now. NEW FEATURES FreeForm, OpenEye's innovation in the estimation of the entropy and free energy of the unbound ligand, included as an API in Szybki TK Full hydrogen sampling has been added to Omega TK IMPROVEMENTS - All Toolkits Java and C# are considerably more stable now due to much more conservative use of stack based memory allocation in all OpenEye toolkits. Stack memory allocation had been causing non-deterministic crashes in environments with limited stack space. IMPROVEMENTS - Java Java 8 is fully supported. Multiple OpenEye jars can be combined together to make platform independent runnable jars. The architecture of the JVM is now detected, and the appropriate shared library will be loaded. OpenEye jars are now cryptographically signed. Use jarsigner -verify to verify the jar. IMPROVEMENTS AND FIXES - Python Python 3.3 is now officially supported. Python 3.3+ has been thoroughly tested since the previous release. Python 3.4 is also supported and is binary compatible with Python 3.3. As such, OpenEye Python 3.x distributions will just be labeled 'python3', except for Windows. All python examples are compatible with both Python 2 and Python 3. A more straight forward error message is displayed when an ImportError exception is raised due to a mismatch between the running Python interpreter version and the Python interpreter version the OpenEye Toolkits were built against. Fixed a bug in OpenEye's platform detection that would sometimes not recognize CentOS 6 as a RedHat 6 Linux distribution. GENERAL NOTICES Added support for Ubuntu 14.04, a long term support distribution that OpenEye will support for 4 years. This release will be the last release to support Ubuntu 10.04. Added support for RHEL 7. This is the next major release from RedHat that will be supported for at least 5 years. OpenEye will soon be phasing out support for RHEL 5. RHEL 5 users should be planning their upgrade now. To start the phase out, this will be the last release to support the following on RHEL 5: ?Python 2.6 ?gcc 4.3 ?gcc 4.4 This release will be the last release to support OSX 10.7. The next release, 2014.Oct, will be the last release to support Visual Studio 2008 for C++ and C# toolkits. Deprecated APIs will now throw a warning message once, and only once, for the lifetime of the process calling the API. All documentation examples shipped in the distribution should now have documentation markup removed. For additional details on the individual toolkits, please see the specific release notes. RESOURCES *Download Documentation Request evaluation Product information Release notes (detailed) Quick Start - C++, C#, Java, Python OEChem TK OEDepict TK OEDocking TK Grapheme TK GraphSim TK Lexichem TK MolProp TK Omega TK QuacPac TK Shape TK Spicoli TK Szybki TK Zap TK About OpenEye Scientific Software OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, NM, with offices in Boston, Cologne, Strasbourg, 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: cheminformatics structure generation shape comparison docking fragment replacement electrostatics crystallography visualization 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 Mac OS X. For additional information Joseph Corkery, M.D. Vice President, Business Development +1-505-473-7385 x76 Email: [email protected] (c) 2014 Electronic News Publishing - |