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Ascalaph Designer
Ascalaph Designer 1.8.94   
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 ...
Freeware
tags: Molecular Model, Molecular Simulation, Molecular Designer, Molecular, Designer, Simulation

Microwaves
Microwaves 1.05   
... of the microwaves. You can also watch water molecules rotate and bounce around. Furthermore, you can view the microwave field as a wave, a single line of vectors, or ...
Freeware
tags: simulate microwave effect, microwave effect simulation, analyze microwave, microwave, molecule, simulator

ShelXle
ShelXle 1.0 Rev 1648   
ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density ...
Open Source
tags: molecule refinement, SHELXL GUI, refine molecule, molecule, atom, refinement

Perfect Science Icons
Perfect Science Icons 2015.1   
... science and engineering, such as Retort, Test Probe, Molecule, Structure, numerous mathematical symbols, Chemical and Statistics Analysis, and many, many more. Scientific projects are not limited to calculations. Hence Perfect ...
Shareware | $49.95
tags: science, icons, graphics, scientific, applications, projects, software, test, retort, molecule

Science Toolbar Icons
Science Toolbar Icons 2013.1   
... of science and engineering, including Retort, Test Probe, Molecule, Structure, various mathematical symbols, Chemical and Statistics Analysis, and many, many more. Scientific projects are not all about calculations. Hence Science ...
Demo | $79.95
tags: professional, icons, graphics, scientific, applications, projects, software, test, retort, molecule

Ascalaph Quantum
Ascalaph Quantum 1.7.12   
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: ...
Open Source
tags: Energy Calculation, Geometry Optimization, Properties Calculation, Quantum, Mechanical, Energy

PyMOL
PyMOL 3.0.3   
... file, ensuring that every object position, atom color, molecule representation, molecular state, frame, and movie can be ... VIEW 3D Molecular Structures RENDER Figures Artistically ANIMATE Molecules Dynamically EXPORT PyMOL Geometry PRESENT 3D Data with ...
Shareware | $99.00
tags: molecular visualization, molecular model, 3D molecular structure, molecular, visualization, structure

Gabedit
Gabedit 2.5.1   
... advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be ... XYZ axes and the principal axes of the molecule. Animation of the normal modes corresponding to vibrational ...
Open Source
tags: chemistry package, molecule specification, molecule builder, chemistry, package, molecule

VEGA ZZ
VEGA ZZ 3.2.3.28   
... 16.777.216 colors). Cluster rendering (WireGL). 3D molecule view: wireframe with multivector bonds, CPK, ball & ... Enhanced atom coloring methods: atom, residue, chain, segment, molecule, constraints and custom. Atom selection & picking. ...
Freeware
tags: molecular model, solvent cluster, atom model, molecule, atom, chemistry

OpenBabelGUI
OpenBabelGUI 2.4.1   
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular ...
Freeware
tags: molecular model, chemical toolbox, analyze molecule, chemistry, analyze, analyzer

MOPlot
MOPlot 1.93   
... according to the geometry definition in the calculation. Molecules can be turned in all directions under mouse ... displacement vectors and in animated form. For complex molecules where the calculation of the displacements may become ...
Freeware
tags: molecular orbital plotting, compute geometric parameters, molecular orbitals, visualization, molecule, orbital

Ascalaph Graphics
Ascalaph Graphics 1.7.12   
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 ...
Open Source
tags: visualize model, molecular model, molecular view, molecular, visualize, graphic

LeoMonteCrystal
LeoMonteCrystal 1.1   
... of the elements define 3D location of the molecule on the surface of the crystal. Relative probabilities to accept or emit molecule are calculated on the base of model of ... activated reaction depending on near surrounding of each molecule on the surface that allows direct introducing of ...
Commercial | $124.95
tags: crystal, growth, simulation, stereo, monte carlo

Open3DALIGN x64
Open3DALIGN x64 2.28   
Open3DALIGN x64 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 ...
Freeware
tags: x64 molecular alignment, x64 molecular dynamics, x64 dataset compound, x64 molecule, x64 alignment, x64 compund

ArcaVir Home Protection 2010 screenshot
ArcaVir Home Protection 2010 10.10.3204.9   
... protection (heuristic) · advaced virus database thanks to Molecule technology Internet security: · Firewall · HTTP scanner · safe e-banking · antiphishing · parental control · antispam ...
Trialware | $65.00
tags: Mail Scanner, Antivirus Scanner, Antivirus Monitor, Antivirus, Scanner, Firewall

LigandScout
LigandScout 3.12   
... linked to 3D interface · Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, ... action · Advanced handling of co-factors, ions, water molecules and covalently bound ligands · Pharmacophore export to ...
Trialware
tags: Pharmacophore Modeling, 3D chemical model, Pharmacophore export, Pharmacophore, chemical model, molecule

ACD/ChemSketch screenshot
ACD/ChemSketch 2021.2.2   
ACD/ChemSketch Freeware is a popular and comprehensive chemical drawing package, intended for home and educational use only. Since 1998, ACD/Labs has provided ChemSketch freeware to >330 academic institutions worldwide. Every day ...
Freeware
tags: chemical, structure, drawing, chemical sketch, chemical structure, draw molecule, chemistry, molecule, refraction, carbon

MarvinSketch screenshot
MarvinSketch 23.16.0   
MarvinSketch allows users to quickly draw molecules through basic functions on the GUI and advanced ... well as support for bond and atom properties, molecule drawing and many more. MarvinSketch has ...
Freeware
tags: chemistry editor, draw reaction, molecule display, molecule, chemistry, sketch

Medical Icon Set
Medical Icon Set 3.8   
... a syringe, a test-tube, a skull, bones, a molecule, a water drop, scales, a brain, teeth, bio hazard, a hospital, a no smoking sign and other important images. There is ...
Demo | $129.00
tags: icon, interface, set, Vista, creative, images, iconic, medical, doctor, medical software

Open3DGRID x64
Open3DGRID x64 2.3   
Open3DGRID x64 is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID x64 can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, ...
Open Source
tags: x64 molecular interaction, x64 interaction field, x64 generate MIF, x64 molecule, x64 interaction, x64 field

ChemDoodle
ChemDoodle 9.1.0   
... just a program for creating chemical structures or molecule drawings. It is a 2D chemical environment where anything chemistry can be incorporated. ChemDoodle's widgets are a great example of this ...
Trialware | $140.00
tags: draw molecule, chemical structure, chemical molecule, molecule, chemical, draw

Medizinische Icon Sammlung
Medizinische Icon Sammlung 3.5   
... a syringe, a test-tube, a skull, bones, a molecule, a water drop, scales, a brain, teeth, bio hazard, a hospital, a no smoking sign and other important images. There is ...
Demo | $129.00
tags: icon, interface, set, Vista, creative, images, iconic, medical, doctor, medical software

Avogadro
Avogadro 1.2.0   
... by using the mouse buttons and dragging the molecules on their three axis. Probably the best aspect of this program for those with some coding knowledge is that it can ...
Freeware
tags: molecular modeling, material science, computational chemistry, molecule, molecular, edit

PyRx
PyRx 0.8   
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening ...
Freeware
tags: drug target analyzer, molecule viewer, drug discovery process, analyze, analysis, analyzer

SketchEl
SketchEl 1.60   
SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. ... required to conveniently edit diagram representations of small molecule structures. Toolbars, templates, mouse gestures, keyboard shortcuts, utility ...
Open Source
tags: chemical structure, cheminformatics application, edit chemical structure, editor, edit, chemical
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