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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

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

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

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

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

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

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

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

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

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

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

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

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

Zeus
Zeus 1.5   
A powerful molecular visualisation tool supporting PDB/Brookhaven, MOL, MOL2/SYBYL and XYZ file formats. It incorporates a sophisticated rendering engine that can output very high quality molecular graphics. Zeus incorporates Sequence Search/Highlighting ...
Freeware

Marvin Suite
Marvin Suite 25.1.58   
... templates and symbols facilitate the rapid construction of molecules, reactions, and mechanisms. The software supports a wide ... Marvin Suite also includes MarvinView, a dynamic molecule viewer that provides detailed visualizations of chemical structures ...
Trialware

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

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

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

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

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

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

Molar Mass / Molecular Weight Calculator
Molar Mass / Molecular Weight Calculator 0.5.1   
... or molecular weight is the mass of a molecule. It is calculated as the sum of the atomic masses of each constituent element or group of elements multiplied by the ...
Freeware

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

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

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
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