OpenBabelGUI 2.4.1 Sourceforge    

... to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related areas Features: ... over 90 chemical file formats Filter and search molecular files using SMARTS and other methods Supports molecular modeling, cheminformatics, bioinformatics Organic chemistry, inorganic chemistry, solid-state materials, .... Free download of OpenBabelGUI 2.4.1

software pick   

CrystalMaker for Mac OS X 10.5.2.300 CrystalMaker Software Limited    

... you can build any kind of crystal or molecular structure - quickly and easily. Built-in symmetry handling ... polyhedra. CrystalMaker provides a wide range of model types, including traditional "ball-and-stick", space-filling, polyhedral, wireframe and thermal ellipsoids. Each model type can be extensively customized, with the option .... Free download of CrystalMaker for Mac OS X 10.5.2.300

software pick   

PyMOL 2.3.4-0 DeLano Scientific LLC    

PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support ... that every object position, atom color, molecule representation, molecular state, frame, and movie can be viewed by ... standard representations. Features: VIEW 3D Molecular Structures RENDER Figures Artistically ANIMATE Molecules Dynamically EXPORT PyMOL Geometry PRESENT .... Free download of PyMOL 2.3.4-0

VEGA ZZ 3.2.0.9 Alessandro Pedretti    

VEGA ZZ is a complete molecular modelling suite that includes several features to make your research jobs very easy. This software is FREE for non-profit academic uses. Extreme OpenGL implementation for an incredible real-time rendering .... Free download of VEGA ZZ 3.2.0.9

CrystalMaker 10.5.2.300 CrystalMaker Software Limited    

... you can build any kind of crystal or molecular structure - quickly and easily. Built-in symmetry handling ... polyhedra. CrystalMaker provides a wide range of model types, including traditional "ball-and-stick", space-filling, polyhedral, wireframe and thermal ellipsoids. Each model type can be extensively customized, with the option .... Free download of CrystalMaker 10.5.2.300

software pick   

FreeDiams for Mac OS X 1.0.0 Eric Maeker    

... Assisted search of drugs by their name, their molecular composition or INN Can be used to prescribe ... accelerate the prescriptions Creating reusable templates limitation (a model corresponds to a complex prescription and can contain ... …) Ability to share your personal protocols and models with other users FreeDiams (under development) High quality .... Free download of FreeDiams for Mac OS X 1.0.0

software pick   

jAGN 1.02 Fabricio M. Lopes    

... based application specially designed to offer you a model generation through theoretical models of complex networks, which is used to simulate ... insights about the activity of live organisms in molecular level. .... Free download of jAGN 1.02

software pick   

ExafsArchitect 1.1.2 Sourceforge    

ExafsArchitect helps you to create molecular models (or grids of molecular models) that allows you, by systematically varying the coordinates .... Free download of ExafsArchitect 1.1.2

Ascalaph Designer 1.8.84 Agile Molecule    

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, Stick, Ball and Stick and CPK Wire frame styles Molecular model building Crystal builder Chain Builder Drawing by .... Free download of Ascalaph Designer 1.8.84

MixProps 1.8.5 GP Engineering Software    

... allow importing/exporting data to other applications. Thermodynamic models include the following equations of state (EOS): Redlich-Kwong, ... the user to fine-tune the data the EOS model produces and allow the EOS to be used ... a reasonable, overall result for the process simulation model...even for small, simple simulation models. This is .... Free download of MixProps 1.8.5

Open3DQSAR x64 2.24 Paolo Tosco    

... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable ... implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: .... Free download of Open3DQSAR x64 2.24

Open3DQSAR for Mac OS X 2.24 Paolo Tosco    

... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable ... implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: .... Free download of Open3DQSAR for Mac OS X 2.24

Open3DQSAR for Linux 2.24 Paolo Tosco    

... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable ... implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: .... Free download of Open3DQSAR for Linux 2.24

Open3DQSAR 2.24 Paolo Tosco    

... at pharmacophore exploration by high-throughput chemometric analysis of molecular interaction fields (MIFs). Open3DQSAR can generate steric potential, ... generate and challenge the predictivity of many 3D-QSAR models using different training/test set combinations, superposition schemes, variable ... implementation of parallelized algorithms for MIF generation, PLS model building and validation, variable selection. FEATURES: .... Free download of Open3DQSAR 2.24

Facio 16.2.1 Masahiko Suenaga    

Facio is an OpenGL-based 3D-graphics program for molecular modeling and visualization of quantum chemical calculations (GAMESS and ... their secondary or quaternary structures. 1. Molecular Modeling Features Modeling is simple. Replacing a hydrogen with CH3, CH2, CH, Phenyl, OH, Formyl, NH2 and Glycosyl, molecular model is assembled. Besides ordinary functions required for .... Free download of Facio 16.2.1

Ascalaph Quantum 1.7.12 Agile Molecule    

... the quantum mechanical module is included in the molecular mechanics package, electrostatic calculations are given particular attention. The Electrostatics mode allows the potential derived charges to be calculated on atoms. .... Free download of Ascalaph Quantum 1.7.12

Ascalaph Graphics 1.7.12 Agile Molecule    

... includes the window interface and three-dimensional graphics of molecular models. Ascalaph Graphics shows molecular models in separate windows. Each window has two cameras, which allow the model to be simultaneously visualized from two sides and ... of each graphical window. FEATURES: · Molecular graphics in multiple windows · Molecular model building .... Free download of Ascalaph Graphics 1.7.12

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