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Ghemical


Ghemical

Ghemical
  • Downloads: 185
  • Requirements: Linux,BSD
  • Size: 2.07MB
  • Licence: GPL Free
  • Version:
  • Added At: 2010-18-03
  • Publisher Site:



Ghemical

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"Ghemical is computational chemistry package"EditByBrothersoft: Ghemical is implemented using the C++ programming language, and it has a graphical user interface which utilizes the OpenGL graphics interface and the GTK+ multiplatform widget library. Here are some features of the program: * Compute energy and gradient using : o quantum mechanical methods + Ab Initio methods provided by MPQC. + Semi-Empirical methods provided by MOPAC7. o molecular mechanics methods + all-atom MM methods (Tripos 5.2 + others). + coarse-grained MM for protein molecules [1] (work in progress). + optional distance constraints can be applied in MM calculations. * Options for studying a molecular system using : o Geometry Optimization. o Molecular Dynamics. o Conformational Searching : + Random Search. + Systematic Search. + Monte Carlo Search. o Other options for QM methods : + Stationary State Search. + Tr
"Ghemical is computational chemistry package"EditByBrothersoft: Ghemical is implemented using the C++ programming language, and it has a graphical user interface which utilizes the OpenGL graphics interface and the GTK+ multiplatform widget library. Here are some features of the program: * Compute energy and gradient using : o quantum mechanical methods + Ab Initio methods provided by MPQC. + Semi-Empirical methods provided by MOPAC7. o molecular mechanics methods + all-atom MM methods (Tripos 5.2 + others). + coarse-grained MM for protein molecules [1] (work in progress). + optional distance constraints can be applied in MM calculations. * Options for studying a molecular system using : o Geometry Optimization. o Molecular Dynamics. o Conformational Searching : + Random Search. + Systematic Search. + Monte Carlo Search. o Other options for QM methods : + Stationary State Search. + Tr �. you can free download Ghemical now.
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Ghemical





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