Three-dimensional molecular structures can be built in the computer with molecular editors. Molecular editors are sophisticated programs that understand chemical concepts such as connectivity, valence, and atom types. Many commercial programs come with built-in molecular editors. For example, SYBYL from Tripos has its own molecular editor.
Few molecular editors are freely available for academic use. Two such programs are Maestro from Schrodinger, and MOLDEN by Gijs Schaftenaar. Both programs provide capability to build molecular structures from scratch and save the structures in many different formats.
Maestro from Schrodinger |
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Maestro Graphical Window |
Maestro Builder Window |
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Maestro offers fast and intuitive way to build and edit molecular structures. Basic functions such as add and delete atoms or change bond order are easily accessible from the tools menu. The inner working of the program remain hidden from user. |
MOLDEN by Gijs Schaftenaar |
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Molden Graphical Window |
MOLDEN Z-Matrix editor |
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MOLDEN gives the user the ultimate control over building the molecular structure: every distance, angle and dihedral can be specified in the Z-matrix editor. Molecular mechanics or quantum mechanics calculations can be launched directly from the builder. |