Ghemical 2.0

Operating systemsOS : Linux / BSD
Program licensingScript Licensing :
CreatedCreated : Jun 7, 2007
Size downloadDownloads : 3
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Ghemical is computational chemistry package. Ghemical ...

ghemical by Tommi Hassinen is computational chemistry package. Ghemical 2.0 is implemented using the C programming language, and it has a graphical user interface which utilizes the OpenGL graphics interface and the multiplatform widget GTK library. Here are some features of the program:
- Compute energy and gradient using :
- quantum mechanical methods
- Ab Initio methods provided by MPQC.
- Semi-Empirical methods provided by MOPAC7.
- molecular mechanics methods
- all-atom MM methods (Tripos 5. 2 others).
- coarse-grained MM for protein molecules.
- optional distance constraints can be applied in MM calculations.
- options for studying a molecular system using :
- Geometry Optimization.
- Molecular dynamics.
- Conformational search :
- Random Search.
- Systematic Search.
- Monte Carlo Search.
- Other options for QM methods :
- Stationary State Search.
- Transition State Search.
- Population Analysis.
- Interfaces to external programs :
- GAMESS.
- Many file import/export features provided by OpenBabel.
- OpenGL graphics presentations :
- molecular graphics presentations :
- Ball-And-Stick.
- Van der Waals.
- Cylinders.
- Wireframe.
- molecular editing tools :
- add and remove atoms and bonds.
- add or remove Hydrogens automatically.
- sequence builder and identifier :
- protein sequences.
- nucleic acid sequences.
- measurement tools for measuring :
- distances.
- angles.
- torsions.
- visualization options :
- colored planes.
- colored surfaces.
- volume rendering.
- protein ribbon models.
- interactive graphing options :
- Energy vs. torsion plot.
- Energy vs. 2 torsions plot.
- energy level diagram plot.
- reaction coordinate plot.
- "Project View" for viewing/editing the model and related information.
- Text window for text-formatted output and logging, and a text command parser/interpreter.
- Molecular Weight calculator.
- MD Trajectory file viewer.
Demands:
• libGhemical [ghemical2.0.exe]-2. 00
• OpenBabel-2. 0. 0 (optional)
• glib-2. 6. 0
• gtk+-2. 4. 0
• gtkglext-1. 0. 5
• libglade-2. 4. 0

Ghemical 2.0 scripting tags: dynamics, molecular dynamics tool, search, methods, computational chemistry, graphics, options, plot, ghemical. What is new in Ghemical 2.0 software script? - Unable to find Ghemical 2.0 news. What is improvements are expecting? Newly-made Ghemical 2.1 will be downloaded from here. You may download directly. Please write the reviews of the Ghemical. License limitations are unspecified.