Molecular Modelling Toolkit (original) (raw)
The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are commonly used for biomolecules. Its principal advantages are (1) easy extension and combination with other libraries due to modular library design, (2) a single high-level general-purpose programming language (Python) is used for library implementation as well as for application scripts, (3) use of documented and
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| dbo:abstract | The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are commonly used for biomolecules. Its principal advantages are (1) easy extension and combination with other libraries due to modular library design, (2) a single high-level general-purpose programming language (Python) is used for library implementation as well as for application scripts, (3) use of documented and machine-independent formats for all data files, and (4) interfaces to other simulation and visualization programs. — Konrad Hinsen, The Molecular Modeling Toolkit: A New Approach to Molecular Simulations, As of 28 April 2011, MMTK consists of about 18,000 lines of Python code, 12,000 lines of hand-written C code, and some machine-generated C code. (en) MMTK (ang. Molecular Modelling Toolkit) – zestaw narzędzi programowych do modelowania molekularnego. MMTK jest to oprogramowanie open source z wiodącym językiem Python, do wspomagania powszechnych działań w modelowaniu cząsteczek. Pakiet zawiera: * konstrukcje systemów cząsteczkowych szczególnie dla białek i polinukleotydów * Nieskończone systemy dla periodycznych warunków brzegowych * geometryczne operacje na współrzędnych * Wizualizacje przy użyciu zewnętrznych PDB i VRLM przeglądarek * animację dynamicznych trajektorii * AMBER 94 oddziaływania polowe z wieloopcyjnym wybieraniem elektrostatycznych interakcji * siłowe pola deformacyjne dla szybkich NM obliczeń dla polipeptydów * minimalizacje energii w wersjach: stopniowej i ciągłej * Molekularną dynamikę z wyborem ustaleń termostatycznych, barostatycznych i odległościowych * NM profil analizy * operacje torów * dopasowywanie ładunków punktowych * obliczanie powierzchni cząsteczek * IO sprzężenie do innych programów (pl) |
| dbo:latestReleaseDate | 2011-04-28 (xsd:date) |
| dbo:latestReleaseVersion | 2.7.4 |
| dbo:operatingSystem | dbr:Cross-platform |
| dbo:programmingLanguage | dbr:Python_(programming_language) |
| dbo:releaseDate | 2000-01-04 (xsd:date) |
| dbo:wikiPageExternalLink | http://dirac.cnrs-orleans.fr/MMTK/ https://www.python.org/about/success/mmtk/ |
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| dbp:author | Konrad Hinsen (en) |
| dbp:genre | Bioinformatics (en) |
| dbp:latestReleaseDate | 2011-04-28 (xsd:date) |
| dbp:latestReleaseVersion | 2.700000 (xsd:double) |
| dbp:name | MMTK (en) |
| dbp:operatingSystem | dbr:Cross-platform |
| dbp:programmingLanguage | Python, C (en) |
| dbp:released | 2000-01-04 (xsd:date) |
| dbp:website | http://dirac.cnrs-orleans.fr/MMTK/ |
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| dct:subject | dbc:Molecular_dynamics_software dbc:Molecular_modelling_software dbc:Python_(programming_language)_software |
| gold:hypernym | dbr:Package |
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| rdfs:comment | The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are commonly used for biomolecules. Its principal advantages are (1) easy extension and combination with other libraries due to modular library design, (2) a single high-level general-purpose programming language (Python) is used for library implementation as well as for application scripts, (3) use of documented and (en) MMTK (ang. Molecular Modelling Toolkit) – zestaw narzędzi programowych do modelowania molekularnego. MMTK jest to oprogramowanie open source z wiodącym językiem Python, do wspomagania powszechnych działań w modelowaniu cząsteczek. Pakiet zawiera: (pl) |
| rdfs:label | Molecular Modelling Toolkit (en) MMTK (pl) |
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| foaf:homepage | http://dirac.cnrs-orleans.fr/MMTK/ |
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| foaf:name | MMTK (en) |
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