XDrawChem is a

free software Free software or libre software is computer software distributed under terms that allow users to run the software for any purpose as well as to study, change, and distribute it and any adapted versions. Free software is a matter of liberty, ...

program for drawing chemical

structural formula The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space. The chemical bond ...

s, available for

Unix Unix (; trademarked as UNIX) is a family of multitasking, multiuser computer operating systems that derive from the original AT&T Unix, whose development started in 1969 at the Bell Labs research center by Ken Thompson, Dennis Ritchie, a ...

and

macOS macOS (; previously OS X and originally Mac OS X) is a Unix operating system developed and marketed by Apple Inc. since 2001. It is the primary operating system for Apple's Mac (computer), Mac computers. Within the market of ...

. It is distributed under the

GNU GPL The GNU General Public License (GNU GPL or simply GPL) is a series of widely used free software licenses that guarantee end users the four freedoms to run, study, share, and modify the software. The license was the first copyleft for general ...

. 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 acid Amino acids are organic compounds that contain both amino and carboxylic acid functional groups. Although hundreds of amino acids exist in nature, by far the most important are the alpha-amino acids, which comprise proteins. Only 22 alpha ...

s and

nucleic acid Nucleic acids are biopolymers, macromolecules, essential to all known forms of life. They are composed of nucleotides, which are the monomers made of three components: a 5-carbon sugar, a phosphate group and a nitrogenous base. The two main ...

s in a built-in library * Retrieval of structures from a network database based on

CAS number A CAS Registry Number (also referred to as CAS RN or informally CAS Number) is a unique identification number assigned by the Chemical Abstracts Service (CAS), US to every chemical substance described in the open scientific literature. It inclu ...

, formula, or name * Retrieval of information on a molecule based on a drawing * Symbols such as

partial charge A partial charge is a non-integer charge value when measured in elementary charge units. Partial charge is more commonly called net atomic charge. It is represented by the Greek lowercase letter 𝛿, namely 𝛿− or 𝛿+. Partial charges are cr ...

and

radical Radical may refer to: Politics and ideology Politics * Radical politics, the political intent of fundamental societal change *Radicalism (historical), the Radical Movement that began in late 18th century Britain and spread to continental Europe an ...

s * Reading MDL Molfiles, CML (

Chemical Markup Language Chemical Markup Language (ChemML or CML) is an approach to managing molecular information using tools such as XML and Java. It was the first domain specific implementation based strictly on XML, first based on a DTD and later on an XML Schem ...

ChemDraw ChemDraw is a molecule editor first developed in 1985 by David A. Evans and Stewart Rubenstein (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in the year 2011. ChemDraw, along with Chem3D and ChemFinde ...

binary format, ChemDraw XML text format * Writing MDL Molfiles, CML,

XML text format * Integration with

OpenBabel Open Babel is computer software, a chemical expert system mainly used to interconvert chemical file formats. About Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelli ...

, allowing XDrawChem to read and write over 20 different

chemical file format A chemical file format is a type of data file which is used specifically to depicting molecular data. One of the most widely used is the chemical table file format, which is similar to ''Structure Data Format'' (SDF) files. They are text files ...

s. * Image export in Portable Network Graphics (PNG), Windows bitmap,

Encapsulated PostScript Encapsulated PostScript (EPS) is a Document Structuring Convention (DSC) conforming PostScript document format usable as a graphics file format. The format was developed as early as 1987 by John Warnock and Chuck Geschke, the founders of Adobe ...

(EPS), and

Scalable Vector Graphics Scalable Vector Graphics (SVG) is an XML-based vector image format for defining two-dimensional graphics, having support for interactivity and animation. The SVG specification is an open standard developed by the World Wide Web Consortium sin ...

(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 p''K''_a,

octanol-water partition coefficient The ''n''-octanol-water partition coefficient, ''K''ow is a partition coefficient for the two-phase system consisting of ''n''-octanol and water. ''K''ow is also frequently referred to by the symbol P, especially in the English literature. It is ...

, and gas-phase

enthalpy Enthalpy , a property of a thermodynamic system, is the sum of the system's internal energy and the product of its pressure and volume. It is a state function used in many measurements in chemical, biological, and physical systems at a constant ...

change.

External links

XDrawChem
at

SourceForge SourceForge is a web service that offers software consumers a centralized online location to control and manage open-source software projects and research business software. It provides source code repository hosting, bug tracking, mirrori ...

Chemistry software Free science software Free software programmed in C++ Free software programmed in Fortran Science software that uses Qt Chemistry software for Linux {{Chemistry software

Major features

See also

External links