برامج عديدة للهندسة الكيميائية

3D molecular modeling without the steep learning curve
Draw in 2D
Let chemsite build the molecular in 3D
Export 3D molecular graphics for visualization and publication.
Interactive 3D modeling and real-time animation lets you use molecular building blocks or atom-by-atom construction to visualize
even the most complex structures -- whether protein, DNA, organic or inorganic -- as fully-realized, space-filling entities. You can
even create and playback movies of molecular dynamics simulations.
You can easily build all types of organic molecules, from small molecules, to proteins and DNAs.
Create stunning presentations with photo-realistic rendering tools such as Bezier curves, Ray-tracing, Phong shading and
****ure-mapped atom symbols... and a single mouse-click exports ChemSite images to any other Windows application.
Powerful analysis features include tools and techniques formerly found only on workstation-level modelers. Full support for stereo
chemistry, for instance, with dashes and wedges around chiral centers and auto-determination of R and S stereo centers is a part
of the ChemSite package. Plus measurement tools ranging from inter-atomic distance to molecular weight and energy calculation,
and more.
Calculate and display electrostatic potential surfaces
Modeling Features: Molecular models may be constructed in a variety of ways. A sketching tool is provided with automatic 2D to 3D
conversion for easy building of inorganic and organic molecules. Organic molecules may be built from common organic functional
groups and fragments. Peptides and proteins may be built with both D and L amino acids. Single and double stranded DNA/RNA
polynucleotides may be constructed with ease.
Visualization Features: Models may be viewed as stick figures, balls and sticks, CPK or with polymers as ribbons or extrusions.
With stick figures, molecular models may be rotated in real time with the mouse. The program features ray tracing and ****ure
mapping for the utmost in molecular graphics realism. Rendering styles may be mixed as desired. With high resolution displays,
photo realistic display of molecular models are easily created. Images may be printed, saved as .BMP or TARGA files, or exported
through the clipboard to word processors and desktop publishing programs. ChemSite brings state of the art workstation quality
graphics capabilities to the pc.
Molecular Mechanics: Features ChemSite performs energy minimization and molecular dynamics simulation. Available force fields
include Amber, mm2 and the ChemSite's default cm+ force field for accurate calculations with almost any molecule. The program
performs real time animation of energy minimization and molecular dynamics simulation with small to medium size molecules. With
large molecules such as proteins, movies of molecular dynamics simulations may be recorded to disk and played back for real time
animation.
Supported File Formats: ChemSite reads and writes the following file formats: ChemSite library (.lib) ChemSite system (.syc)
Brookhaven Protein databank (.ent and .pdb) MDL mol file (.mol) Mopac Z-matrix (.zmt, .mop) Connectivity table (.ct) Cartesion A
(.cta) Your ChemSite package includes: Single user license and software package Comprehensive illustrated instruction manual
Extensive library of organic & biological molecules
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Chemcad v5.2
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