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MarvinSketch screenshot
MarvinSketch 23.16.0   
... using wedge bonds user can assign stereochemistry to atoms. Additional data fields can also be attached to atoms, via “S-group” logic so that any user-defined information ...
Freeware
tags: chemistry editor, draw reaction, molecule display, molecule, chemistry, sketch

MOPlot
MOPlot 1.93   
... group charges (charges of hydrogens summed into heavy atoms), and atomic spin populations (for open shell systems), ... (bond lengths, angles, dihedrals) for any set of atoms or midpoints between two atoms (the latter is ...
Freeware
tags: molecular orbital plotting, compute geometric parameters, molecular orbitals, visualization, molecule, orbital

Multiwfn
Multiwfn 3.7   
... can decide the wavefunction informations belong to which atoms and which orbitals will be used for subsequent ... analysis. Multiwfn outputs composition of basis functions, shells, atoms and intra-/inter-fragments in each orbital. Partition methods defined ...
Open Source
tags: wavefunction analysis, topology analysis, molecular structure, analysis, analize, wavefunction

VEGA ZZ
VEGA ZZ 3.2.3.28   
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 ...
Freeware
tags: molecular model, solvent cluster, atom model, molecule, atom, chemistry

Zeus
Zeus 1.5   
... (which uses Van der waal’s Radii to size atoms appropriately). These can be applied to sections of the molecular structure. Peptide/Nucleic structure can be "cartoonised" using 3d Ribbon based on ...
Freeware
tags: PDB, peptide, protein, dna, nucleic acid, residues, molecular, viewer, molecule, atoms, visualisation

Linxtl
Linxtl 5.9.1   
LinXTL is a text editor and a crystallographic toolbox for structural solution and refinement. It includes support for commonly used X-ray programs, makes it easer to generate publication materials and appendices ...
Freeware
tags: text editor, publication material, scientific report, editor, publication, science, thesis

GNU Prolog for Windows (x64 bit) screenshot
GNU Prolog for Windows (x64 bit) 1.5.0   
... facility under the interactive interpreter with completion on atoms. * powerful bidirectional interface between Prolog and C. # Compiler: * native-code compiler producing stand alone executables. * ...
Open Source
tags: x64 Prolog environment, Prolog compiler x64, programming environment x64, Prolog x64, x64 compiler, environment x64, Windows x64 bit

Dash
Dash 1.12.1   
... as race conditions and deadlocks. Additionally, Clojure provides atoms, refs, and agents as abstractions for managing state changes, each suited for different concurrency scenarios. The language's ecosystem is bolstered ...
Open Source
tags: Clojure, download Clojure, Clojure free download, programming language, JVM language, JVM bytecode, code, JVM, language, Lisp

ACD/ChemSketch screenshot
ACD/ChemSketch 2021.2.2   
... offers IUPAC chemical naming (up to 50 functional atoms); prediction of logP; comprehensive report creation; tautomer recognition; 2D structure cleaning; 3D optimization and viewing; drawing of polymers, organometallics, and Markush ...
Freeware
tags: chemical, structure, drawing, chemical sketch, chemical structure, draw molecule, chemistry, molecule, refraction, carbon

RasMol
RasMol 2.7.5   
... parallel strands), hydrogen bonding and dot surface representations. Atoms may also be labelled with arbitrary text strings. Alternate conformers and multiple NMR models may be specially coloured and identified in ...
Open Source
tags: molecular graphics viewer, molecular modelling, protein molecule, molecule, chemistry, chemical

Ascalaph Quantum
Ascalaph Quantum 1.7.12   
... There should be no considerable overlapping of valance-unbound atoms. The bonds should be of realistic length. ... the potential derived charges to be calculated on atoms. ...
Open Source
tags: Energy Calculation, Geometry Optimization, Properties Calculation, Quantum, Mechanical, Energy

SketchEl
SketchEl 1.60   
... Easy to use interactive tools for placing atoms and bonds. Tools are multipurposed in order to ... control over creation, calculation and rendering of hydrogen atoms. Built-in structure templates. Aesthetically pleasant output, using anti-aliased ...
Open Source
tags: chemical structure, cheminformatics application, edit chemical structure, editor, edit, chemical

Marvin Suite
Marvin Suite 25.1.58   
... particularly useful for examining the spatial arrangement of atoms and the overall geometry of molecules, which is crucial for understanding their reactivity and interactions. The 3D visualization capabilities are enhanced ...
Trialware
tags: Marvin Suite, download Marvin Suite, Marvin Suite free download, create molecule structure, molecule structure checker, 3D molecule viewer, Chemistry, molecule, structure, atom

Build a Molecule
Build a Molecule 1.0.22   
... users to assemble molecules from a variety of atoms. This hands-on approach not only reinforces theoretical knowledge but also enhances the user's understanding of molecular geometry and bonding. The interface ...
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

Fling Theory
Fling Theory   
... Fling Theory, players solve physics-based puzzles by manipulating atoms and destroying obstacles. Your weapon? Electrons! Play through ... introduce the ability to manipulate the charge of atoms by hitting them, switching your polarity to launch ...
Commercial | $2.99
tags: puzzle, game, play, metro app
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