ChemDraw explained
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein[1] [2] (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in 2011.[3] ChemDraw, along with Chem3D and ChemFinder, is part of the ChemOffice suite of programs and is available for Macintosh and Microsoft Windows.
Features of ChemDraw 12.0
- Chemical structure to name conversion
- Chemical name to structure conversion
- NMR spectrum simulation (1H and 13C)
- Mass spectrum simulation
- Structure cleanup
- Draw ligand Structure
- An extensive collection of templates, including style templates for most major chemical journals.
- Export to SVG
- Export to PDF (Mac Version only)
File format
The native file formats for ChemDraw are the binary CDX and the preferred XML-based CDXML formats.ChemDraw can also import from, and export to, MOL, SDF, and SKC chemical file formats.
Plugins
SDK for ChemDraw enables third-party developers to write plugins. For example, Quick HotKey helps to set up HotKeys in interactive mode instead of manually editing the text file.
The plugin website <nowiki>http://www.cambridgesoft.com/services/documentation/sdk/</nowiki>
appears to have been abandoned, and redirects to Revvity Signals' website.
References
- ChemDraw Ultra 10.0 . Mills . N. . . 2006 . 128 . 41 . 13649–13650 . 10.1021/ja0697875.
- Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch . Li . Z. . Wan . H. . Shi . Y. . Ouyang . P. . . 2004 . 44 . 5 . 1886–1890 . 10.1021/ci049794h . 15446849.
- Dieter . Strack . ChemOffice Ultra 2000 . . 57 . 1 . 2001 . 144 . 10.1016/S0031-9422(00)00503-3.
- . 1999 . 285 . 5435 . 1866–1867 . 10.1126/science.285.5435.1866 . Digital Chemical Intelligence . Andreas . Madlung. 60908986 .
- . 2014 . 53 . 42 . 11140–11145 . 10.1002/anie.201405820 . History of the Harvard ChemDraw Project . David A. Evans . 25131311 . free .
See also
Notes and References
- Halford. Bethany. Reflections On ChemDraw. . 2014 . 92 . 33 . 26–27 . 20 August 2014 . 10.1021/cen-09233-scitech1.
- Evans . David A. . 2014-10-13 . History of the Harvard ChemDraw Project . Angewandte Chemie International Edition . en . 53 . 42 . 11140–11145 . 10.1002/anie.201405820. free .
- Web site: Announcing CambridgeSoft from Perkin Elmer . 2014-09-09 . 2014-09-11 . https://web.archive.org/web/20140911001815/http://www.cambridgesoft.com/pki/ . dead .