AFITT v2.4.1 released

 
OpenEye is pleased to announce the release of AFITT v2.4.1. This upgrade fixes several bugs and adds numerous internal improvements.

HIGHLIGHTS

  • FLYNN comes bundled with a refinement dictionary writer, WRITEDICT, that uses the MMFF94 force field to derive geometrical constraints for input ligands or protein-ligand complexes. The output dictionaries enforce, as closely as possible, the input ligand’s geometries while allowing the refinement programs to modify the geometry as needed. This version corrects a serious error in which WRITEDICT wrote incorrect bonds lengths for 5-5, 5-6 heterocycle ring systems.
  • A bug that caused PDB remark data that was more than 72 characters long to be clipped from the refined output has been fixed. This only occured when the input and output file formats were both PDB.
GENERAL
  • This release adds support for Coot 0.8. Coot 0.6 and earlier versions are no longer supported.
  • On Windows, because memory is limited for 32-bit applications, only the 64-bit version is available.
PLATFORM SUPPORT
  • Support for Ubuntu 16 has been added.
  • Support for Mac OS X 10.10, 10.11, and macOS Sierra 10.12 has been added.
  • Mac OS X 10.8 and 10.9 are no longer supported.
  • SuSe 11 is no longer supported.
AVAILABILITY
AFITT is now available for download. Existing licenses will continue to work, but if a new license is required, contact your account manager or email sales@eyesopen.com.

See the release notes for full and specific details on improvements and fixes.
 

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OpenEye Toolkits v2017.Feb Released

OpenEye is pleased to announce the release of OpenEye Toolkits v2017.Feb. These libraries include the usual support for C++, Python, C#, and Java.

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JCUP VIII | Tokyo, JP (Japanese)

        

OpenEye Scientific Software社では、2010年より創薬研究の計算化学分野での最新研究成果を日本国内の研究者の皆様に共有して頂く目的で、研究講演会JCUPを開催しております。JCUPはOpenEye社製品のユーザに限定された会ではございませんので、当該分野でご活躍の製薬企業、大学、公的研究機関等の研究者でしたらどなたでもご参加頂くことが可能です。例年海外からの研究者にもご発表頂いておりますので、国際的な観点で創薬研究に関して活発な議論を行って頂く場として是非ご活用下さい。

本年は、以下の通りJCUP VIIIを開催することと致しました。ご参加をお待ちしております。

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JCUP VIII | Tokyo, JP

        

JCUP is OpenEye's annual Japanese science meeting. An off-shoot of our CUP meeting held in Santa Fe, this meeting aims to bring together our Japanese users with other leading scientists both inside and out of OpenEye to discuss the challenges of drug discovery.

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Drug Discovery Chemistry

San Diego, CA
April 24-26, 2017

OpenEye will be attending and presenting at Drug Discovery Chemistry.

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253rd ACS National Meeting

San Francisco, CA
April 2-6, 2017

OpenEye will be attending and presenting at the 253rd ACS National Meeting and Exposition.

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Drug Discovery, London UK

London, UK
March 27-28, 2017

OpenEye will be attending and presenting at the Drug Discovery Conference in London. 

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BioIT World Expo 2017

Boston, MA
May 23-25, 2017

OpenEye will be attending and presenting at this years BioIT World. Please visit us at Booth 248. 

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CUP XVII

This years CUP event was held from March 6-8, 2017 at the Inn and Spa at Loretto in Santa Fe, NM. 

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