Mobile Chemistry Portal
hosted by J. Heyrovskı
Institute of Physical Chemistry of the CAS, v.v.i.
(Department of Molecular Electrochemistry and Catalysis)
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Mobile Chemistry Portal hosted by J. Heyrovskı
Institute of Physical Chemistry of the CAS, v.v.i.
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MOPAC Author James J.P. Stewart Homepage The official website of MOPAC® is maintained by Stewart Computational Chemistry. Source
The official sources (up to MOPAC 7.1) are available in the
official website.
Reference Stewart, James J.P., Journal of computer-aided molecular design 4(1) (1990) 1-103. Description & Use MOPAC is one of the most favourite and well-known semiempirical package which enables MNDO, MINDO/3, AM1 and PM3 calculations. Quick start A typical input file contains:
Keywords The input file is saved as FOR005 to the folder where the MOPAC executable is present. Use in command line / shell: mopac (in Windows command line) or ./mopac (in Android shell). The result named FOR006 will appear in the same location. It should be noted that any files other than FOR005 must be removed from the folder before executing a new calculation.
The same procedure
is valid for PDDG modification of the code (see below). In opposite,
version of MOPAC with support of COSMO is executed in following way: or ./ mopac [input file].dat (in Android shell). The output file(s) will appear in the same location. Program status The current package contains MOPAC 7 binaries of primary version compiled for the particular hardware platforms. License MOPAC The distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of James Stewart. We are also grateful to metapfhor (GitHub) for ready-to-compilation form of MOPAC 7 source code. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. MinGW The Windows version contains few essential dynamic link libraries which are part of MinGW runtime.
Copyright (c) 2012 MinGW.org project X11-Basic GUI of the Windows version was built using X11-Basic (by Markus Hoffmann) framework (GPL v.3). For correct functionality, SDL library (available under GNU LGPL license) is included in package. Advanced Installer The MSI installer for Windows was created using the Advanced Installer (Freeware edition). Distribution of original MOPAC version (A) Self-extracting installers with graphical user interface (recommended for most users)
(B) Binaries and corresponding documentation (for advanced users) Android up to 4.4 (Kitkat) (obsolete) In case of your interest, please contact us by e-mail. Android 5.0 (Lollipop) und later (position independent executables)
Windows version
Modified MOPAC version with COSMO support Authors
James J.P. Stewart (MOPAC 7) Homepage The official website of MOPAC® is maintained by Stewart Computational Chemistry. Source The official sources (up to MOPAC 7.1) are available in the official website. More recent versions (MOPAC2007, MOPAC2009, MOPAC2012, MOPAC2016) are not open-source. There is plenty of other sites which distribute some flavour of MOPAC - CCL archives, funet archives, SourceForge, GitHub etc. The patched source used for this distribution was taken from here. Reference Stewart, James J.P., Journal of computer-aided molecular design 4(1) (1990) 1-103. License MOPAC The distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of James Stewart. We are also grateful to Aoyama Iwao (GitHub) for ready-to-compilation form of patched MOPAC 7 source code. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. MinGW The Windows version contains few essential dynamic link libraries which are part of MinGW runtime.
Copyright (c) 2012 MinGW.org project X11-Basic GUI of the Windows version was built using X11-Basic (by Markus Hoffmann) framework (GPL v.3). For correct functionality, SDL library (available under GNU LGPL license) is included in package. Advanced Installer The MSI installer for Windows was created using the Advanced Installer (Freeware edition). (A) Self-extracting installers with graphical user interface (recommended for most users)
(B) Binaries and corresponding documentation (for advanced users) Android up to 4.4 (Kitkat) (obsolete) In case of your interest, please contact us by e-mail. Android 5.0 (Lollipop) und later (position independent executables)
Windows version
Modified MOPAC version with PDDG support Authors
James J.P. Stewart (MOPAC 7) Homepage
The official website of MOPAC®
is maintained by
Stewart Computational Chemistry.
Reference
Stewart, James J.P., Journal of computer-aided molecular design 4(1)
(1990) 1-103. License MOPAC The distribution is published as freeware at Mobile Chemistry Portal and Google Play Store with kind permission of James Stewart and Julian Tirado-Rives. We are also grateful to metapfhor (GitHub) for ready-to-compilation form of MOPAC 7 source code. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. MinGW The Windows version contains few essential dynamic link libraries which are part of MinGW runtime.
Copyright (c) 2012 MinGW.org project X11-Basic GUI of the Windows version was built using X11-Basic (by Markus Hoffmann) framework (GPL v.3). For correct functionality, SDL library (available under GNU LGPL license) is included in package. Advanced Installer The MSI installer for Windows was created using the Advanced Installer (Freeware edition). (A) Self-extracting installers with graphical user interface (recommended for most users)
(B) Binaries and corresponding documentation (for advanced users) Android up to 4.4 (Kitkat) (obsolete) In case of your interest, please contact us by e-mail. Android 5.0 (Lollipop) und later (position independent executables)
Windows version
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