ChemDraw
 | |
| Developer(s) | CambridgeSoft |
|---|---|
| Stable release |
16.0
/ August 2016 |
| Operating system | Mac OS X, Microsoft Windows, iOS |
| Type | Scientific |
| License | Proprietary |
| Website | ChemDraw on CambridgeSoft site |
ChemDraw is a molecule editor first developed in 1985 by David A. Evans and Stewart Rubenstein[1] (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in the year 2011.[2] ChemDraw, along with Chem3D and ChemFinder, is part of the ChemOffice suite of programs and is available for Macintosh and Microsoft Windows. A simplified, touch optimized version for the iPad was released in late 2013.
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
- An extensive collection of templates, including style templates for most major chemical journals.
- Export to SVG (Windows Version only)
- 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 also can 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 manually editing of text file. The Plugin site appears to have been abandoned.
References
- ↑ Halford, Bethany. "Reflections On ChemDraw". Retrieved 20 August 2014.
- ↑ Announcing CambridgeSoft from Perkin Elmer
- Mills, N. (2006). "ChemDraw Ultra 10.0". J. Am. Chem. Soc. 128 (41): 13649–13650. doi:10.1021/ja0697875.
- Li, Z.; Wan, H.; Shi, Y.; Ouyang, P. (2004). "Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch". J. Chem. Inf. Comput. Sci. 44 (5): 1886–1890. doi:10.1021/ci049794h. PMID 15446849.
- Dieter Strack (2001). "ChemOffice Ultra 2000". Phytochemistry. 57 (1): 144. doi:10.1016/S0031-9422(00)00503-3.
- Andreas Madlung (1999). "Digital Chemical Intelligence". Science. 285 (5435): 1866–1867. doi:10.1126/science.285.5435.1866.
- Bethany Halford (2014). "Reflections On ChemDraw". C&EN. 92 (33): 26–27.
- David A. Evans (2014). "History of the Harvard ChemDraw Project". Angewandte Chemie International Edition. 53 (42): 11140–11145. doi:10.1002/anie.201405820.