Chemical software is a type of application software that is used to draw chemical structures, molecular modeling, etc. Here, we have listed all the common software for chemistry.
Common Software For Chemistry
Other Useful Software For Chemistry
ChemDraw
• On-premises
• Chemical drawing, molecule editor
• Atom, bond, and ring coloring, visualize complex molecules
• Name-to-structure, structure-to-name function, HELM toolbar, etc.
ISIS/Draw (BIOVIA Draw)
• On-premises, cloud-based
• Draw/edit complex molecules, sequences, reactions
• Collaborative searching, manage complex biological entities
• Enumeration, isotopomer distribution, stoichiometry calculations, etc.
CrystalExplorer
• On-premises
• Analyze crystal structure, 3D visualization
• Hirshfeld surface analysis, quantify intermolecular interactions
• Single-crystal to single-crystal reactions, effects of pressure and temperature, etc.
DelPhi
• On-premises
• Calculate electrostatic potentials, energies
• Solve Poisson-Boltzmann equation, modeling of charge distribution
• Gaussian-based smooth dielectric function, etc.
Kinemage
• On-premises
• 3D macromolecule analysis, structural validation
• Determine protein and nucleic structures
• Represent geometric figures, tetrahedra of RNA, etc.
JChemPaint
• On-premises
• Molecule editor, 2D chemical structure display
• Opensource, can be integrated into web-pages
Wavefunction
• On-premises
• Spectral analysis, visualization
• Structure optimization, molecular modeling
• Calculate chemical properties, determine structures, etc.
MS-Excel
• On-premises
• Spreadsheet, data visualization, and analysis
• Graphing tool, pivot tables, calculations and computation capabilities
• For both experts and novices
ChemSketch
• On-premises
• Molecular modeling, 2D images, 3D visualization
• Analyze structure of chemical bonds, rotate molecules, apply color
• Write/perform chemical reactions, etc.
OctaDist
• On-premises
• Structural distortion analysis, 3D modeling
• Determine regular, irregular distorted octahedral molecular geometry
• Mean distance, distance/angle distortion, atomic orthogonal projection, etc.
ProBiS
• On-premises
• Predict protein structure binding sites and ligands
• Detects similar sites on protein surfaces (based-on local structural alignments)
• Geometry optimization, interaction energy calculation, etc.