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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

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

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

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

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

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

RasMol
RasMol 2.7.5   
... is an important scientific tool for visualisation of molecules created by Roger Sayle in 1992. RasMol is ... the visualisation of proteins, nucleic acids and small molecules. The program is aimed at display, teaching and ...
Open Source
tags: molecular graphics viewer, molecular modelling, protein molecule, molecule, chemistry, chemical

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

CrystalMaker
CrystalMaker 11.0.2   
CrystalMaker provides a streamlined workflow that majors on productivity: just drag-and-drop your data files into the program for instant display in spectacular photo-realistic colour. Manipulate structures in real time, with the ...
Demo | $499.00
tags: handle crystal design, import molecule design, scientific project reader, reader, import, molecule

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

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

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

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

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

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

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

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

Marvin Suite
Marvin Suite 20.20.0   
... example, one can employ MarvinSketch to create complex molecules from scratch; the program supports all types of atoms, with any valence, as well as radicals and isotopes. ...
Freeware
tags: Create molecule structure, Molecule structure checker, 3D molecule viewer, Chemistry, Molecule, Structure, Atom

Cytoscape x64
Cytoscape x64 3.10.0   
Cytoscape x64 is an open source bioinformatics software platform for visualizing molecular interaction networks and biological pathways and integrating these networks with annotations, gene expression profiles and other state data. Although ...
Open Source
tags: x64 molecular interaction network, x64 molecule visualization, x64 bioinformatics viewer, x64 visualization, x64 molecule, x64 Biology

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

SingleCrystal
SingleCrystal 5.0.0   
SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns ...
Demo | $449.00
tags: Chemistry Diffraction, Chemistry Analysis, Molecule Simulation, Diffraction, Electron, Neutron

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

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
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