Molecular

Molecular visualization programs have become extremely valuable tools in many fields of science including computational chemistry and structural biology. They allow us to visualize and analyze the structure of molecules such as proteins, nucleic acids, and small organic molecules to a level of detail and customization that would be otherwise impossible to reach in a laboratory.

The Surflex Platform consists of the five modules described below. The Surflex Manual contains details of all computational procedures and options within each command-line module. We support Linux (most common variants), Windows, and MacOS. All of the modules are multi-core capable, and very substantial speed-ups are observed with modern multi-core laptops, workstations, and HPC clusters.

Schrödinger Inc. announced 2013-1, the latest release of their entire suite of software programs, this covers tools for drug design, material science, biological modelling and general purpose modelling.

Diamond is our outstanding molecular and crystal structure visualization software. It integrates a multitude of functions, which overcome the work with crystal structure data - in research and education as well as for publications and presentations. Diamond does not only draw nice pictures of molecular and crystal structures like most of its competitive programs do. It offers an extensive set of functions that let you easily model any arbitrary portion of a crystal structure from a basic set of structural parameters (cell, space group, atomic positions).

HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program. Our newest version, HyperChem Release 8.0, is a full 32-bit application, developed for the Windows 95, 98, NT, ME, 2000, XP, and Vista operating systems. HyperChem Release 8.0 incorporates even more powerful computational chemistry tools than ever before, as well as supporting multiple third-party applications. Its drawing and rendering capabilities and ease of use are standards for the industry.

Chemcraft is a Windows-based graphical program for working with quantum chemistry computations. It is a convenient tool for visualization of computed results and preparing new jobs for the calculation. Chemcraft is mainly developed as a graphical user interface for Gamess (US version) and Gaussian program packages. For working with other formats of calculations, the possibility to import/export coordinates of atoms in text format can be easily used. Chemcraft does not perform its own calculations, but can significantly facilitate the use of widespread quantum chemistry packages.

HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program. HyperChem Release 8.0, is a full 32-bit application, developed for the Windows 95, 98, NT, ME, 2000, XP, and Vista operating systems.

Chemcraft is a graphical program for working with quantum chemistry computations. It is a convenient tool for visualization of computed results and preparing new jobs for the calculation. Chemcraft is mainly developed as a graphical user interface for Gamess (US version and the PCGamess) and Gaussian program packages.

HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts more molecular modeling tools at your fingertips than any other Windows program.