ChemSite Pro - Molecular Modeling Software

Interactive 3D Molecular Graphics with ChemSite Pro®
Comprehensive Molecular Modeling Program Enables Users to Build Any Chemical Structure Quickly and Professionally

ChemSite Pro is an interactive 3D molecular graphics environment that enables the chemist to build, study, and present molecules in an impressive visual environment. The intuitive Windows interface makes ChemSite Pro easy to learn and use. 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.

This versatile molecular modeling program enables users to draw, display, and simulate the dynamic behavior of protein, DNA, organic, and inorganic molecules as fully realized, space-filling entities. ChemSite Pro comes with a fully interactive crystal builder, enabling ionic, metallic, covalent and molecular crystals to be constructed from a database of all 230 space groups.

ChemSite Pro also makes it easy to build molecules by sketching them as you would on paper and then automatically convert the sketch to an accurate 3D model. You can even create and playback molecular dynamics. Photo-realistic rendering tools such as Bezier curves, Ray tracing, Phong shading and texture-mapped atom symbols help create stunning presentations.

ChemSite Pro images can be exported to other Windows applications with a single mouse click. The program works interactively with CISPro, MMP+ and NIST Mass Spec Search programs.

Powerful analysis features include tools and techniques formerly found only on workstation level modeling programs. The program delivers full support for stereo chemistry, for example, with dashes and wedges around chiral centers and auto-determination of R and S stereo centers. Files can be freely imported and exported in all the most popular formats including Brookhaven, ChemDraw connectivity table, and Mopac Z-matrix.

An extensive library of organic molecules suitable for college organic chemistry courses is included for use with lessons from popular organic chemistry textbooks, such as McMurray, making it a great teaching tool! The latest version displays molecular surfaces calculated with semi-empirical quantum mechanics and provides improved graphic performance. Easily draw any 2D structure for publication-quality graphics and automatically convert to 3D modeling.

Versatile Molecular Modeling and Simulation
  • Build lipids and lipid bilayers
  • Build synthetic polymers
  • Build lipid bilayers and perform MD simulation in water under 2D periodic boundary conditions
  • Perform semi-empirical extended huckel calculations
  • Performs Ab Initio, MP2 and DFT Calculations: includes all the popular basis sets from STO-3G to 6-311G**
  • Build crystals based on all of the 230 space groups
  • Calculate and display molecular orbitals: total electron density and frontier orbitals (HOMO, LUMO)
  • Display electron spin density
  • Display the electrostatic potential
  • Calculates Ab Initio, DFT, del Re, Huckel and Extended Huckel atomic charges
  • Works interactively with CISPro, MMP+ and NIST Mass Spec Search programs
  • New implicit solvent models for molecular dynamics 
Software Link : ChemSite Pro - Molecular Modeling Software 

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