MOPAC is a popular

computer program A computer program is a sequence or set of instructions in a programming language for a computer to execute. Computer programs are one component of software, which also includes documentation and other intangible components. A computer program ...

used in

computational chemistry Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of m ...

. It is designed to implement

semi-empirical Empirical evidence for a proposition is evidence, i.e. what supports or counters this proposition, that is constituted by or accessible to sense experience or experimental procedure. Empirical evidence is of central importance to the sciences an ...

quantum chemistry Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions ...

algorithms, and it runs on Windows, Mac, and Linux. MOPAC2016 is the current version. MOPAC2016 is able to perform calculations on small molecules and enzymes using PM7, PM6, PM3, AM1, MNDO, and RM1. The Sparkle model (for lanthanide chemistry) is also available. Academic users can use this program for free, whereas government and commercial users must purchase the software. MOPAC was largely written by Michael Dewar's research group at the

University of Texas at Austin The University of Texas at Austin (UT Austin, UT, or Texas) is a public research university in Austin, Texas. It was founded in 1883 and is the oldest institution in the University of Texas System. With 40,916 undergraduate students, 11,075 ...

. Its name is derived from ''Molecular Orbital PACkage'', and it is also a pun on the

Mopac Expressway MOPAC is a popular computer program used in computational chemistry. It is designed to implement semi-empirical quantum chemistry algorithms, and it runs on Windows, Mac, and Linux. MOPAC2016 is the current version. MOPAC2016 is able to perform ...

that runs around Austin. MOPAC2007 included the new Sparkle/AM1, Sparkle/PM3, RM1 and PM6 models, with an increased emphasis on solid state capabilities. However, it does not have yet MINDO/3, PM5, analytical derivatives, the Tomasi solvation model and intersystem crossing. MOPAC2007 was followed by the release of MOPAC2009 in 2008 which presents many improved features The latest versions are no longer

public domain software Public-domain software is software that has been placed in the public domain, in other words, software for which there is absolutely no ownership such as copyright, trademark, or patent. Software in the public domain can be modified, distributed, ...

as were the earlier versions such as MOPAC6 and MOPAC7. However, there are recent efforts to keep MOPAC7 working as open source software. An open source version of MOPAC7 for

Linux Linux ( or ) is a family of open-source Unix-like operating systems based on the Linux kernel, an operating system kernel first released on September 17, 1991, by Linus Torvalds. Linux is typically packaged as a Linux distribution, which ...

is also available.MOPAC7 Open Source Version
/ref> The author of MOPAC, James Stewart, released in 2006 a public domain version of MOPAC7 entirely written in Fortran 90 called MOPAC7.1.

References

External links

MOPAC 2016 sales and support information

MOPAC 2002 Manual

*

Source code In computing, source code, or simply code, is any collection of code, with or without comments, written using a human-readable programming language, usually as plain text. The source code of a program is specially designed to facilitate the wo ...

and

compiled In computing, a compiler is a computer program that translates computer code written in one programming language (the ''source'' language) into another language (the ''target'' language). The name "compiler" is primarily used for programs that ...

binaries A binary file is a computer file that is not a text file. The term "binary file" is often used as a term meaning "non-text file". Many binary file formats contain parts that can be interpreted as text; for example, some computer document fil ...

at the

Computational Chemistry List The Computational Chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators from around the world. According to the forum's web site, it is estimated that more than 3000 mem ...

repository: ** Source code (in FORTRAN): *
MOPAC 6
**
MOPAC 7
** Compiled binaries: **
MOPAC 6
for

MS-DOS MS-DOS ( ; acronym for Microsoft Disk Operating System, also known as Microsoft DOS) is an operating system for x86-based personal computers mostly developed by Microsoft. Collectively, MS-DOS, its rebranding as IBM PC DOS, and a few ope ...

Windows Windows is a group of several proprietary graphical operating system families developed and marketed by Microsoft. Each family caters to a certain sector of the computing industry. For example, Windows NT for consumers, Windows Server for serv ...

; **
MOPAC 6
for

Windows 95 Windows 95 is a consumer-oriented operating system developed by Microsoft as part of its Windows 9x family of operating systems. The first operating system in the 9x family, it is the successor to Windows 3.1x, and was released to manufacturin ...

/ NT; *** MOPAC 6 with GUI
Winmostar
**
MOPAC 7
for MS-DOS/Windows **
MOPAC 7
for

**
MOPAC 2009
for

and Mac
MOPAC-5.022mn (MOPAC at the University of Minnesota)
{{Chemistry software Computational chemistry software

See also

References

External links