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ChemDraw

Summary

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.

ChemDraw
Developer(s)Revvity
Stable release
23.0 / February 14, 2024; 55 days ago (2024-02-14)
Operating systemmacOS, Microsoft Windows
TypeScientific
LicenseProprietary
WebsiteChemDraw on Revvity Signals website

Features of ChemDraw 12.0 edit

  • 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 edit

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 edit

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 http://www.cambridgesoft.com/services/documentation/sdk/ appears to have been abandoned, and redirects to Revvity Signals' website.

References edit

  1. ^ Halford, Bethany (2014). "Reflections On ChemDraw". C&EN. 92 (33): 26–27. doi:10.1021/cen-09233-scitech1. Retrieved 20 August 2014.
  2. ^ Evans, David A. (2014-10-13). "History of the Harvard ChemDraw Project". Angewandte Chemie International Edition. 53 (42): 11140–11145. doi:10.1002/anie.201405820.
  3. ^ "Announcing CambridgeSoft from Perkin Elmer". Archived from the original on 2014-09-11. Retrieved 2014-09-09.
  • 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.
  • Strack, Dieter (2001). "ChemOffice Ultra 2000". Phytochemistry. 57 (1): 144. doi:10.1016/S0031-9422(00)00503-3.
  • Madlung, Andreas (1999). "Digital Chemical Intelligence". Science. 285 (5435): 1866–1867. doi:10.1126/science.285.5435.1866. S2CID 60908986.
  • David A. Evans (2014). "History of the Harvard ChemDraw Project". Angewandte Chemie International Edition. 53 (42): 11140–11145. doi:10.1002/anie.201405820. PMID 25131311.

See also edit