Predicting Molecular Geometry

Xcas is a useful, multi-platform tool that acts as an interface to perform computer algebra, function graphs, interactive geometry (2D and 3D), spreadsheet and statistics. The program can be used as a replacement for high end graphic calculators. Now you can perform various calculations with the... Platforms: Windows

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures.... Platforms: Windows

Copan is a very efficient and easy-to-use geomatics engineering tool for computing and managing plane survey coordinates. It does numerous coordinate geometry (COGO) calculations, processes and adjusts raw field survey data, computes and adjusts map traverse data, performs map checks, calculates... Platforms: Windows

Foretype accelerates text input by analyzing what you are typing and predicting what you will most likely write next. Foretype's guess is shown as a tooltip, which can be inserted by pressing either the TAB or ENTER keys. Foretype predicts words based on the statistical analysis of an... Platforms: Windows

The Ascalaph Quantum package provides interfaces to ab initio quantum mechanical packages NWChem, CP2K and PC GAMESS / Firefly. Quantum calculations are performed using the PC GAMESS program. FEATURES: Energy calculations : · Energy calculation mode is controlled by selecting the basis... Platforms: Windows

Disc springs are used in many fields of the mechanical industry but, because of their geometry, it is very hard to make absolute predictions for their behaviour. Disc Spring Solver intends to help the disc springs users to foresee the performance of the springs that they are using by giving... Platforms: Windows

PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support development of this open, effective, and affordable software by purchasing an incentive copy, which is pre-built and comes with maintenance and support. PyMOL can interpret over 30 different... Platforms: Windows, Mac, Linux

The Ascalaph Designer application was developed for molecular models and simulations. Using this application you can simulate, molecular graphics, optimization, molecular dynamics, quantum chemistry. Features: Molecular graphics Multiple windows Two cameras per model CPK, Wire frame,... Platforms: Windows

FreeCAD is a general purpose Open Source 3D CAD/MCAD/CAx/CAE/PLM modeler, aimed directly at mechanical engineering and product design but also fits in a wider range of uses around engineering, such as architecture or other engineering specialties. It is a feature-based parametric modeler with a... Platforms: Windows

Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary... Platforms: Mac

Ascalaph Graphics is a handy, easy-to-use program designed to provide a graphical interface of the system. The program includes the window interface and three-dimensional graphics of molecular models. Ascalaph Graphics shows molecular models in separate windows. Each window has two cameras,... Platforms: Windows

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA... Platforms: Linux

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Mac

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Linux

JavaView is a simple, easy to use application designed to offer you a 3D geometry viewer and a mathematical visualization software. The open API of JavaView enables a smooth integration as 3D viewer and advanced visualization toolkit into commercial software. Note: In order to use this... Platforms: Windows

Open3DQSAR is an open-source tool aimed at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it can import GRIDKONT binary... Platforms: Windows

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA... Platforms: Mac

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is... Platforms: Windows

rattleCAD is an easy to use graphical application that will help you design a bicycles geometry and derive drawings from configuration. Platforms: Windows

FreeCAD is a general purpose Open Source 3D CAD/MCAD/CAx/CAE/PLM modeler, aimed directly at mechanical engineering and product design but also fits in a wider range of uses around engineering, such as architecture or other engineering specialties. It is a feature-based parametric modeler with a... Platforms: Mac