MOPAC-PDDG
১০+
ডাউনল’ড
সকলো
info
এই এপ্টোৰ বিষয়ে
Authors of the code: James J.P. Stewart (MOPAC 7) Matt Repasky (PDDG extension)
Homepage: The official website of MOPAC® is maintained by Stewart Computational Chemistry.
http://openmopac.net/
The PDDG modification of the original code is described here.
http://zarbi.chem.yale.edu/doc/pddg/
Source: The official sources (up to MOPAC 7.1) are available in the official website.
http://openmopac.net/
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.
http://www.ccl.net/cca/software/MS-DOS/mopac_for_dos/index.shtml http://www.nic.funet.fi/pub/sci/chem/qcpe/mopac6.0/ https://sourceforge.net/projects/mopac7/ https://github.com/metapfhor/MOPAC
Reference: Stewart, James J.P., Journal of computer-aided molecular design 4(1) (1990) 1-103.
Repasky, Matthew P., Chandrasekhar, J., Jorgensen, W.L., Journal of computational chemistry 23(16) (2002) 1601-1622.
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: check the included manuals
Program status:
The current package contains MOPAC-PDDG binaries based on MOPAC 6 compiled for the particular Android hardware platforms and adapted for running in generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.
License:
The distribution is published for free 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, https://github.com/metapfhor/MOPAC) for ready-to-compilation form of MOPAC 7 source code.
For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package.
Contact:
Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.
Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
Homepage: The official website of MOPAC® is maintained by Stewart Computational Chemistry.
http://openmopac.net/
The PDDG modification of the original code is described here.
http://zarbi.chem.yale.edu/doc/pddg/
Source: The official sources (up to MOPAC 7.1) are available in the official website.
http://openmopac.net/
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.
http://www.ccl.net/cca/software/MS-DOS/mopac_for_dos/index.shtml http://www.nic.funet.fi/pub/sci/chem/qcpe/mopac6.0/ https://sourceforge.net/projects/mopac7/ https://github.com/metapfhor/MOPAC
Reference: Stewart, James J.P., Journal of computer-aided molecular design 4(1) (1990) 1-103.
Repasky, Matthew P., Chandrasekhar, J., Jorgensen, W.L., Journal of computational chemistry 23(16) (2002) 1601-1622.
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: check the included manuals
Program status:
The current package contains MOPAC-PDDG binaries based on MOPAC 6 compiled for the particular Android hardware platforms and adapted for running in generic, stock devices. The app requires permission to access the file-storage. It works completely offline and does not contain ads.
License:
The distribution is published for free 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, https://github.com/metapfhor/MOPAC) for ready-to-compilation form of MOPAC 7 source code.
For more details on licenses of used software, please check the included README file and the corresponding license files inside of the package.
Contact:
Compilation of the source code for Android/Windows as well as the Android/Windows app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.
Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
আপডে’ট কৰা তাৰিখ
বিকাশকৰ্তাসকলে আপোনাৰ ডেটা কেনেকৈ সংগ্ৰহ আৰু শ্বেয়াৰ কৰে সেয়া বুজি পোৱাৰ জৰিয়তে সুৰক্ষা আৰম্ভ হয়। ডেটাৰ গোপনীয়তা আৰু সুৰক্ষা প্ৰণালী আপোনাৰ ব্যৱহাৰ, অঞ্চল আৰু বয়সৰ ওপৰত ভিত্তি কৰি ভিন্ন হ’ব পাৰে। বিকাশকৰ্তাগৰাকীয়ে এই তথ্যখিনি প্ৰদান কৰিছে আৰু সময়ৰ লগে লগে এয়া আপডে’ট কৰিব পাৰে।
নতুন কি আছে
Updated interactive GUI.
এপৰ সমৰ্থন
বিকাশকৰ্তাৰ বিষয়ে
Ústav fyzikální chemie J. Heyrovského AV ČR, v. v. i.
alan.liska@jh-inst.cas.cz
2155/3 Dolejškova
182 00 Praha
Czechia
+420 266 053 287
