From Wikipedia, the free encyclopedia
Jump to navigation Jump to search
XDrawChem 1.9.9 German.png
XDrawChem 1.9.9
Stable release
1.9.9 / November 30, 2005; 12 years ago (2005-11-30)
Written inC++
Operating systemUNIX and X Window (Linux, SGI IRIX, Sun Solaris, others...) or macOS
TypeMolecular editor
LicenseGNU GPL

XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL. In Microsoft Windows this program is called WinDrawChem.

Major features[edit]

  • Fixed length and fixed angle drawing
  • Automatic alignment of figures
  • Detection of structures, text, and arrows, and their automatic placement
  • Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library
  • Retrieval of structures from a network database based on CAS number, formula, or name
  • Retrieval of information on a molecule based on a drawing
  • Symbols such as partial charge and radicals
  • Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format
  • Writing MDL Molfiles, CML, ChemDraw XML text format
  • Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.
  • Image export in Portable Network Graphics (PNG), Windows bitmap, Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG)
  • 3D structure generation with the help of the external program BUILD3D
  • Simple spectra predictions, including 13C-NMR, 1H-NMR (based on additive rules and functional group lookup methods), and IR
  • Simple property estimation, including pKa, octanol-water partition coefficient, and gas-phase enthalpy change.

See also[edit]

  • ChemDraw – popular, proprietary chemical editor
  • BKchem – another GPL chemical editor

External links[edit]