ChemDraw
Encyclopedia
ChemDraw is a molecule editor
developed by the cheminformatics
company CambridgeSoft
. ChemDraw is, along with Chem3D and ChemFinder, part of the ChemOffice suite of programs and is available for Macintosh
and Microsoft Windows
.
and the preferred XML
based CDXML
formats.
Molecule editor
A molecule editor is a computer program for creating and modifying representations of chemical structures.Molecule editors can manipulate chemical structure representations in either two- or three-dimensions. Two-Dimensional editors generate output used as illustrations or for querying chemical...
developed by the cheminformatics
Cheminformatics
Cheminformatics is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. These in silico techniques are used in pharmaceutical companies in the process of drug discovery...
company CambridgeSoft
CambridgeSoft
CambridgeSoft was a cheminformatics software company based in Cambridge, Massachusetts, USA. The company was founded in 1986 by Stewart Rubenstein, then a graduate student in chemistry at Harvard University, and ended operations as an independent company in 2011. The historical main product is the...
. ChemDraw is, along with Chem3D and ChemFinder, part of the ChemOffice suite of programs and is available for Macintosh
Macintosh
The Macintosh , or Mac, is a series of several lines of personal computers designed, developed, and marketed by Apple Inc. The first Macintosh was introduced by Apple's then-chairman Steve Jobs on January 24, 1984; it was the first commercially successful personal computer to feature a mouse and a...
and Microsoft Windows
Microsoft Windows
Microsoft Windows is a series of operating systems produced by Microsoft.Microsoft introduced an operating environment named Windows on November 20, 1985 as an add-on to MS-DOS in response to the growing interest in graphical user interfaces . Microsoft Windows came to dominate the world's personal...
.
Features of ChemDraw 12.0
- Chemical structureChemical structureA chemical structure includes molecular geometry, electronic structure and crystal structure of molecules. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together. Molecular geometry can range from the very simple, such as...
to name conversion - Chemical name to structure conversion
- NMR spectrumNMR spectroscopyNuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy, is a research technique that exploits the magnetic properties of certain atomic nuclei to determine physical and chemical properties of atoms or the molecules in which they are contained...
simulation (1H and 13C) - Mass spectrumMass spectrometryMass spectrometry is an analytical technique that measures the mass-to-charge ratio of charged particles.It is used for determining masses of particles, for determining the elemental composition of a sample or molecule, and for elucidating the chemical structures of molecules, such as peptides and...
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 CDXCDX Format
CDX is a binary file type created by CambridgeSoft Corporation's ChemDraw chemical structure application. CDXML is the XML and preferred version of this format.- External links :* , Documentation of File Specification...
and the preferred XML
XML
Extensible Markup Language is a set of rules for encoding documents in machine-readable form. It is defined in the XML 1.0 Specification produced by the W3C, and several other related specifications, all gratis open standards....
based CDXML
CDXML
CDXML is the XML analogue of the binary CDX file type used by CambridgeSoft Corporation's ChemDraw chemical structure application. It is considered to be the preferred format for future development.- External links :* , Documentation of File Specification...
formats.