Free Open Source Molecular Modeling Software

Avogadro is a free, open source, cross-platform, flexible and extensible molecular modeling software, it’s specially useful if you are a student who is learning chemistry, or a professional in the materials science, computational chemistry, bioinformatics or molecular modeling field.

Free Open Source Molecular Modeling Software

Features

  • Rotate, zoom in/out, move the view with mouse.
  • Add new molecule from the periodic table of elements: hydrogen, helium, lithium, beryllium, boron, carbon, nitrogen, oxygen, fluorine, neon, sodium, magnesium, aluminum, silicon, phosphorus, sulfur, chlorine, argon, potassim, calcium, scandium, titanium, vanadium, chromium, manganese, iron, cobalt, nickel, copper, zinc, gallium, germanium, arsenic, selenium, bromine, krypton, rubidium, strontium, yttrium, zirconium, niobium, molybdenum, technetium, ruthenium, rhodium, palladium, silver, cadmium, indium, tin, antimony, tellurium, iodine, xenon, cesium, barium, lanthanum, hafnium, tantalum, tungsten, rhenium, osmium, iridium, platinum, gold, mercury, thallium, lead, bismuth, polonium, astatine, radon, francium, radium, actinium, rutherfordium, dubnium, seaborgium, bohrium, hassium, meitnerium, darmstadtium, roentgenium, copernicium, ununtrium, ununquadium, ununpentium, ununhexim, ununseptium, ununoctium, cerium, praseodymium, neodymium, promethium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterium, lutetium, thorium, protactinium, uranium, neptunium, plutonium, americium, curium, berkelium, californium, einsteinium, fermium, mendelevium, nobelium, lawrencium.
  • Cut, copy, paste, delete selected elements.
  • Manipulate molecules with python.
  • Open cml, xyz, pdb, alc, cdx, cdxml, ent, gpr, mdl, mol, sdf, sd, dmol, inp, gamin, gamout, fract, gjf, gzmat, mol2, nwo, out, log, pgr, dat, output, gamout, g98, g03, cif, fchk, hin, ent files.
  • Save to common molecule formats( cml, xyz, ent, pdb, alc, chm, cdx, cdxml, c3d1, c3d2, gpr, mdl, mol, sdf, sd, crk3d, cht,dmol, bgf, gam, inp, gamin, gamout, tmol, fract, gau, gzmat, mpd, mol2, nwo ), cml files, GAMESS Input( gamin ) files, Gaussian Cartesian Input( gau ) files, Gaussian Z-matrix Input( gzmat ) files, DML SDfile( mol ) files, pdb files, NWChem Input( nw ) files, Sybyl Mol2( mol2 ) files.
  • Export to png, jpg, jpeg, bmp, pdf, svg, eps ROV-ray files.
  • View molecule properties( molecular weight, chemical formula, energy, estimated dipole moment, number of atoms, number of bonds ), Atom properties, Bond properties, Angle properties, Torsion properties, Conformer properties.
  • Insert Fragment, SMILES, Peptide( Ala, Arg, Asn, Asp, Cys, Glu, Gln, Gly, His, Ile, Leu, Lys, Met, Phe, Pro, Ser, Thr, Trp, Tyr, Val ).
  • Render the scene with specified GLSL shaders( vertex shader and fragment shader ).
  • Multiple Force Fields available: Ghemical, MMFF94, MMFF94s, UFF.
  • Render animation to avi file.
  • And many more…

Avogadro works on most major 32-bit Windows systems like Windows 7, Windows XP, and Mac OS X, Linux, etc.

Avogadro is a 8.7MB download available from SourceForge.net.


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