Английская Википедия:Chemistry Development Kit

Материал из Онлайн справочника
Версия от 11:33, 17 февраля 2024; EducationBot (обсуждение | вклад) (Новая страница: «{{Английская Википедия/Панель перехода}} {{short description|Computer software}} {{Infobox software | name = Chemistry Development Kit | logo = Cdklogo.svg | logo alt = Burgundy-colored ball and stick pseudo-molecule diagram spelling the three letters C, D, and K. | screenshot = | caption = | author = Christoph Steinbeck, Egon Willighagen, Dan Gezelter | developer = The CDK Project | released = {{Start date and age|2001|...»)
(разн.) ← Предыдущая версия | Текущая версия (разн.) | Следующая версия → (разн.)
Перейти к навигацииПерейти к поиску

Шаблон:Short description Шаблон:Infobox software The Chemistry Development Kit (CDK) is computer software, a library in the programming language Java, for chemoinformatics and bioinformatics.[1][2] It is available for Windows, Linux, Unix, and macOS. It is free and open-source software distributed under the GNU Lesser General Public License (LGPL) 2.0.

History

The CDK was created by Christoph Steinbeck, Egon Willighagen and Dan Gezelter, then developers of Jmol and JChemPaint, to provide a common code base, on 27–29 September 2000 at the University of Notre Dame. The first source code release was made on 11 May 2011.[3] Since then more than 100 people have contributed to the project,[4] leading to a rich set of functions, as given below. Between 2004 and 2007, CDK News was the project's newsletter of which all articles are available from a public archive.[5] Due to an unsteady rate of contributions, the newsletter was put on hold.

Шаблон:Infobox journal

Later, unit testing, code quality checking, and Javadoc validation was introduced. Rajarshi Guha developed a nightly build system, named Nightly, which is still operating at Uppsala University.[6] In 2012, the project became a support of the InChI Trust, to encourage continued development. The library uses JNI-InChI[7] to generate International Chemical Identifiers (InChIs).[8] In April 2013, John Mayfield (né May) joined the ranks of release managers of the CDK, to handle the development branch.[9]

Library

The CDK is a library, instead of a user program. However, it has been integrated into various environments to make its functions available. CDK is currently used in several applications, including the programming language R,[10] CDK-Taverna (a Taverna workbench plugin),[11] Bioclipse, PaDEL,[12] and Cinfony.[13] Also, CDK extensions exist for Konstanz Information Miner (KNIME)[14] and for Excel, called LICSS ([1]).[15]

In 2008, bits of GPL-licensed code were removed from the library. While those code bits were independent from the main CDK library, and no copylefting was involved, to reduce confusions among users, the ChemoJava project was instantiated.[16]

Major features

Chemoinformatics

Bioinformatics

  • protein active site detection
  • cognate ligand detection[22]
  • metabolite identification[23]
  • pathway databases
  • 2D and 3D protein descriptors[24]

General

See also

Шаблон:Portal Шаблон:Scholia

References

Шаблон:Reflist

External links

Шаблон:Chemistry software

Партнерские ресурсы
Криптовалюты
Магазины
Хостинг
Разное

  1. ↑ Шаблон:Cite journal
  2. ↑ Шаблон:Cite journal
  3. ↑ Шаблон:Cite web
  4. ↑ Шаблон:Cite web
  5. ↑ Шаблон:Cite web
  6. ↑ Шаблон:Cite web
  7. ↑ Шаблон:Cite web
  8. ↑ Шаблон:Cite journal
  9. ↑ Шаблон:Cite web
  10. ↑ Шаблон:Cite journal
  11. ↑ Шаблон:Cite journal
  12. ↑ Шаблон:Cite journal
  13. ↑ Шаблон:Cite journal
  14. ↑ Шаблон:Cite journal
  15. ↑ Шаблон:Cite journal
  16. ↑ ChemoJava
  17. ↑ Шаблон:Cite journal
  18. ↑ Шаблон:Cite journal
  19. ↑ Шаблон:Cite journal
    Шаблон:Cite journal
  20. ↑ Шаблон:Cite journal
  21. ↑ Шаблон:Cite journal
  22. ↑ Шаблон:Cite journal
  23. ↑ Шаблон:Cite journal
  24. ↑ Шаблон:Cite journal
Источник — http://wikihandbk.com/ruwiki/index.php?title=Английская_Википедия:Chemistry_Development_Kit&oldid=13890453