ACD/MolX

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Do you feel limited by off-the-shelf chemical drawing software? Have you written a "killer" application that just needs a molecular structure editor to make it complete?

ACD/MolX is the component you need. ACD/MolX can be easily embedded into custom applications written in a variety of programming environments supporting ActiveX technology: C++, Delphi, Basic, or Web-related. Now you can bring "chemical structure handling" capabilities into your PC-based applications, even if you do not want to work directly with a chemical structure on the programming level.

With ACD/MolX control you can:

• Display chemical structures and other drawn images. The following formats are supported:
  • ACD/ChemSketch Document (*.sk2)
  • MDL molfile (*.mol) or molfile contents (as text strings in MDL molfile format)
  • MDL rxnfile (*.rxn) or rxnfile contents (as text strings in MDL rxnfile format)
  • MDL SDfile (*.sdf)
  • MDL ISIS/Draw Sketch File (*.skc)
  • CambridgeSoft ChemDraw Sketch File (*.cdx, *.chm)
  Files can be local, on the network, or from FTP or HTTP addresses.
• Set the display preferences: control the colors, sizes, and fonts of atomic symbols. Control size, color, and thickness of bonds.
• Calculate various physicochemical properties and generate the chemical names (depending on installed ACD/Labs modules) for the currently displayed chemical structure.
• Display results in a dialog box, or output them to a text file.
• Activate registered ACD/Labs programs and use them to calculate available properties for the currently displayed chemical structure, or search over the ACD/Labs databases (spectral, physicochemical, ChemFolder, or Dictionary).

ACD/MolX can be coordinated with ACD/SpecX so that scrolling through a table of spectrum shifts or fragments will display the assigned chemical structure with the corresponding atom or fragment highlighted.

ACD/MolX also provides local and remote MDL ISIS database connections, and can read and update chemical structures in ISIS.

An example of MolX in the Waters Millennium³² Chromatography Software integration project is shown here:

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