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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

MarvinSketch screenshot
MarvinSketch 23.16.0   
MarvinSketch allows users to quickly draw molecules through basic functions on the GUI and advanced functionalities such as sprout drawing, customizable shortcuts, abbreviated groups, default and user-defined templates and context-sensitive ...
Freeware
tags: chemistry editor, draw reaction, molecule display, molecule, chemistry, sketch

Gabedit
Gabedit 2.5.1   
... advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations. Major features: Gabedit can Creates ...
Open Source
tags: chemistry package, molecule specification, molecule builder, chemistry, package, molecule

Gas Properties
Gas Properties 1.0.20/3.15   
... simulation software that enables you to pump gas molecules into a box. Gas Properties allows you to see what happens as you change the volume, add or remove heat, change ...
Freeware
tags: analyze gas properties, gas properties analysis, simulate gas reaction, gas, reaction, simulator

Marvin Suite
Marvin Suite 24.3.0   
... templates and symbols facilitate the rapid construction of molecules, reactions, and mechanisms. The software supports a wide ... arrangement of atoms and the overall geometry of molecules, which is crucial for understanding their reactivity and ...
Trialware
tags: chemical drawing, Marvin Suite, molecule, software download, structure, molecule structure checker, Marvin Suite free download, cheminformatics, create molecule structure, 3D molecule viewer, ChemAxon Ltd., atom, download Marvin Suite, molecular modeling

JChem Suite
JChem Suite 24.3.0   
... conventions, making it versatile enough to handle complex molecules and reactions with ease. JChem Suite also excels in its ability to perform sophisticated chemical calculations and predictions. The suite ...
Demo
tags: chemical informatics, Chemistry database, download JChem Suite, ChemAxon Ltd., molecule, JChem Suite free download, edit compound, chemical database management, JChem Suite, cheminformatics software, molecular modeling, atom, modify molecule, compound

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

Chemistry Development Kit
Chemistry Development Kit 1.5.6 Dev   
... editor NMRShiftDB and JChemPaint, a database of organic molecules and their NMR spectra are based on the Chemistry Development Kit (CDK). ...
Open Source
tags: Java library, chemoInformatics library, bioinformatics library, chemistry, chemoinformatics, bioinformatics

sRNA Workbench
sRNA Workbench 4.5.1   
... tunes gene expression. RNA silencing is mediated by molecules known as small RNAs (sRNAs). Well-known examples of sRNAs include short-interfering RNA (siRNA), microRNAs (miRNAs), trans-acting short-interfering RNA (tasi-RNA) and Piwi-interacting ...
Freeware
tags: sRNA analysis, sRNA dataset, sequence analysis, sequence, sRNA, analysis

Build a Molecule
Build a Molecule 1.0.22   
... its drag-and-drop interface, which enables users to assemble molecules from a variety of atoms. This hands-on approach ... is its real-time feedback mechanism. As users construct molecules, the software provides immediate visual and textual feedback, ...
Open Source
tags: chemistry, Learn Chemistry, PhET, Chemistry, Create Molecule, Simulation, Molecule, download Build a Molecule, Build a Molecule, education, interactive, Build Molecule, Atom, molecules, simulation, Build a Molecule free download

jAGN screenshot
jAGN 1.02   
... the cells can be viewed as networks of molecules connected by chemical reactions. The development of massive data collection techniques, as cDNA microarrays and SAGE, allows the simultaneous verification of ...
Freeware
tags: artificial gene networks generation, generate artificial gene networks, complex network model, create, generate, generator

PyMOL
PyMOL 3.0.3   
... VIEW 3D Molecular Structures RENDER Figures Artistically ANIMATE Molecules Dynamically EXPORT PyMOL Geometry PRESENT 3D Data with AxPyMOL DEVELOP with JyMOL ...
Shareware | $99.00
tags: molecular visualization, molecular model, 3D molecular structure, molecular, visualization, structure

TARQUIN
TARQUIN 4.3.6   
... analysis tool for automatically determining the quantities of molecules present in NMR spectroscopic data. The intended purpose of TARQUIN is to aid the characterisation of pathologies, in particular brain tumours, ...
Open Source
tags: fit MRS data, analyze MRS data, MRS data analyzer, simulate, fit, analyze

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

The Greenhouse Effect
The Greenhouse Effect 1.2.5   
... Zoom in and see how light interacts with molecules. Do all atmospheric gases contribute to the greenhouse effect? ...
Freeware
tags: greenhouse effect analyzer, simulate greenhouse effect, greenhouse effect simulator, greenhouse effect, gas, simulator

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

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

HRS Computing
HRS Computing 2.0.0   
... useful to determine the microscopic structure of composites, molecules, etc... Finally it's a Open Source software, so ... Draw polar graphics using calculated coefficients. · Show molecules in 3D. · Show dipolar momentum vectors in ...
Open Source
tags: Hyper Rayleigh Scattering, simulate HRS, analyze HRS, simulation, simulator, simulate

miRPI screenshot
miRPI 1.0   
... identified mostly by specific cloning of small RNA molecules, complemented by computational methods. Computational identification of miRNA is faster and generally follows AB initio and sequence alignment methods. ...
Freeware
tags: find conserved miRNA, conserved miRNA finder, search conserved miRNA, analyze, analysis, find

SketchEl
SketchEl 1.60   
... order to make this as convenient as possible. Molecules can be easily interconverted with the ubiquitous MDL ... boolean) or a molecule. Editing and viewing of molecules is linked to the molecule sketching tool. The ...
Open Source
tags: chemical structure, cheminformatics application, edit chemical structure, editor, edit, chemical
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