XDrawChem

Updated on Sep 22, 2024

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Written in C++ License GNU GPL		Type Molecular editor

Stable release 1.9.9 / November 30, 2005; 11 years ago (2005-11-30) Operating system UNIX and X Window (Linux, SGI IRIX, Sun Solaris, others...) or macOS

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

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.

(Text) CC BY-SA