ACD/ChemSketch

What's New

Version 6.0 to 7.0

Customizable interface-a spectacular improvement in ease-of-use.

• Version 7.0 features contemporary, customizable toolbars. You get to choose the buttons for your toolbar.

Find a structure in any Microsoft Office or ACD/Labs database file.

• Search through OLE objects in MS Word, Excel, and PowerPoint files, in addition to the previously available Adobe Reader PDF files and a variety of ACD/Labs formats: CUD, HUD, CFD, NDB, ND5, and INT. Previously, similar searches were available through SK2, MOL, SDfile, SKC, CHM, RXN, and CDX file formats.
• Specify the computer directories for the search.

Customize the list of predicted properties.

• Choose the properties you need to calculate from the available list.

Calculate and display nominal mass/monoisotopic/average mass for a FRAGMENT of a structure using the new "MassSpec Scissors" command.

New Table object and Table drawing and modifying tools

• Create tables, edit data, change the size of columns and rows, and insert and remove any object to and from the table cells. You can set a background color and table border line style.
• Drag-and-Drop or use the Group and Ungroup buttons to move objects in and out of the Table. The 'Protect Content' Table option is available to disable insertion or removal of objects to or from the Table.

Send a report as a PDF file attached to your e-mail.

• In version 6.0 you were able to send a SK2 file from ChemSketch. Now send PDF files from the File menu.

Export ACD/ChemSketch documents to ChemDraw CDX format.

• In addition to the previously available capability of saving the structures in CambridgeSoft ChemDraw CDX format, ACD/ChemSketch can now add spectra and other data to export them as a complete report into the ChemDraw file.

Send your structures to a Personal Digital Assistant (PDA).

• Send your structures to a PDA and view them on the handheld screen using special ACD/Labs' programs for Pocket PC or Palm® OS-based PDAs (ACD/ChemPalm and ACD/ChemPocket).
• The above programs, which are a part of the complete ACD/ChemSketch package, allow you to:
  • View structures and other available data;
  • Enable/disable atom numeration for structures;
  • Zoom In/Zoom Out;
  • Exchange data by IR (Infrared) Beam; and
  • Use add-ons like the Solution Calculator.
• Through integration with ACD/ChemFolder, use PDA handhelds to review and sort databases, and edit, move, and delete database records.

Direct link to ACD/3D Viewer

• New button on the General toolbar of ChemSketch helps users start 3D Viewer (if needed), and pass the drawn structure along.

Enhancements in ACD/3D Viewer
3D optimization:

• Support of Hydrogen to Xenon atoms;
• Additional configurations: trigonal bipyramid and flat square; and
• Improved 3D optimization of 2D structures with chiral centers.

Display and work with 3D structures:

• Ability to modify the conformation of a chemical structure by manually changing bond and torsion angles, and distances;
• Structure representation in perspective;
• Option to invert the configuration of the chiral centers; and
• Ability to resize, move, and 2D rotate the 3D structure.

Improvements in ACD/Tautomers

• Check for tautomers prior to calculation and choose the desired form automatically

Enhancements in ACD/Dictionary include:

• Increased number of entries. New version of ACD/Dictionary contains more than 103,000 systematic and non-systematic names, registry numbers, and abbreviations along with the corresponding molecular structures of the most frequently used chemicals. This is 5,000 more entries than in version 6.0
• Choice of the database displayed in the Dictionary. If you are creating and using custom dictionary files, you can use your own data in the Dictionary.
• Copying the structure with the name. Both the structure and the corresponding name can be copied from the ACD/Dictionary window into the ACD/ChemSketch window.
• Searching by taking the stereo configuration into account. ACD/Dictionary searches now take the configuration of chiral centers and double bonds into account. Previously, such configuration was ignored.

Version 7 of ACD/Labs Extension for ChemDraw features:

• Improved customization and flexibility:
  • Set options for LogD, pK_a, Boiling Point, IUPAC Name, and Index Name calculations; and
  • Search through ACD/Labs CNMR, HNMR, Dictionary, and PhysChem databases.
• New integration possibilities:
  • Calculate logD using ACD/LogD Suite and produce a table of results in the ChemDraw window; and
  • Predict XNMR shifts and constants for the selected structure in ChemDraw.