Make two molecules or fragments to coincide with each other using a matching procedure (least-square approach).In addition, DrawMol provide some tools to:.Open gaussian cube files and visualize isosurfaces of the stored date.Atomic displacements of a vibrational normal modes via vectors, spheres or even animation.Unit sphere representation of the polarizability and hyperpolarizability.Molecular Orbitals from the basis set and LCAO coefficients.Polarizability and first-hyperpolarizability.In addition to the molecular structure, DrawMol can read various molecular properties (for now only available for Gaussian fchk file format):.Open XYZ, MDL molfile, Gaussian log, Gaussian fchk, Gamess log, Dalton out, Molpro out file formats.Visualize molecular structure as well as molecular properties.

Import a structure from ChemSpider database.

The Cartesian Editor can also be used to output the structure in any of these formats as well as to modify a given structure by adding/removing some atoms or by changing a given atom element.

Paste directly a structure into the Cartesian Editor of DrawMolIt can recognize XYZ, Gaussian, Gamess, Turbomole and Z-matrix formats.

For Gamess, if the program is installed locally, you can even launch the job from DrawMol (in the background) and follow the progression of the job.Save your structure in xyz format or build a gaussian or gamess input file directly.Moreover, hydrogen atoms can be added automatically.When building a structure, DrawMol can guess for you the type of bonds (single, double, triple or aromatic bonds) or you can force it by clicking on a bond. You can then refine your structure in one click using UFF force field optimization.Build a structure by clicking and dragging to add atoms and bonds.Build a molecular structure from scratch.DrawMol is a powerful graphical interface to visualize and build molecular structures.

How to add an atom in crystalmaker