Main features

MOLDRAW is a molecular graphics visualizer and manipulator developed with Visual Basic 6.0 Professional Edition. It is a 32-bits program running under any flavour of Microsoft Windows. At the moment all graphic effects are built from scratch using the VB 2D directives. Despite that, rotation and manipulation of a 5000 atoms structure in stick representation is very handy with modern CPUs.

MOLDRAW allows to visualize molecules and crystals the structure of which come from a variety of structural resources. Basically, one gets molecular structures from either quantum mechanical calculations (see the Gaussian and the CRYSTAL links) or structural data bases (see the New structure link).

Structures can then be rendered in a variety of graphical representation (see the screen shots link). MOLDRAW can also manipulate each structure, for instance adding, deleting, renaming or changing the position of atoms (see the the manipulation link).

Structures can be studied by computing distances, angles, torsions, inertia moments and so on. Part of a structure can be hidden using appropiate tools in order to focus on given details (see the manipulation link).

New structures can be exported in a variety of standard formats (see the Export to link) for further manipulations.

At the moment, no force-field is implemented so that geometrical manipulations may

intoduce strain in the structure. Geometry relaxation can be accomplished by exporting the structure to Gaussian or MOPAC program for further refinement.

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