ACD/ChemSketch

What's New

Version 5.0 to 6.0

General

•   The newly embedded Search for Structure icon enables users to search for chemical structures on their file system in different formats including: SK2, MOL, SDF, SKC, CHM, CDX, RXN, and PDF. Users can:
  • Perform exact structure searches,
  • Perform substructure searches,
  • Preview search results,
  • Open search result documents in ChemSketch as well as in other applications,
  • Store search results for later access.
• Send command on the Options menu allows you to send the contents of the current page by E-mail.
• Generate Stereo Descriptors command on the Tools menu allows you to describe configuration of chiral centers, pseudo chiral centers, and double-bond where stereo isomerism is possible.
• Mouse wheel support for easy access and scrolling.

Structure mode

•   Polymers - denote repeating units within a drawn structure.
•   Markush Bond - denote the variability in position of a substituent within a structure.
•   Labeling of Reaction Arrows - a tool which simplifies adding and editing specific experimental conditions on reaction arrows.
•   Atom-Atom Mapping - associate atoms in reactant to product schemes. Users can export mapped mechanisms into reaction-supportive formats (i.e. RXN). Users also have the added functionality to open mapped reactions into ChemFolder 6.0. This tool allows you to map a drawn reaction either manually or automatically.
•   Pseudo Atom - a tool which replaces any atom in a structure with an empty atom to create open-ended polymers and bent bonds.
• Add Explicit Hydrogens - new command on the Tools menu.
• CTRL+dragging with either of the Draw Normal/Draw Continuous/Draw Chains tool active allows the user to draw polymers where the components are attached at an angle of 180 degrees to each other.
• CTRL+Delete tool allows the user to retain single atoms in a structure after deletion.

Draw mode

•   Reporting Templates - creates report templates for data supported by ACD/SpecManager. With the Report Template, tool it is easy to meet your corporate standards. Using the Report Template tool, you can arrange multiple SpecManager objects (such as tables, spectra, structures, and other) belonging to one or several spectra/curves/chromatograms on a single or several pages. It is possible to insert your company logo into template-based reports by inserting the logo as a bitmap.
•   Bitmap icon allows inserting external bitmap images into the body of a ChemSketch document.
•   Additional bracket graphics added.

Version 4.5 to 5.0

• Now you can write your ChemSketch files in PDF format, suitable for use with Adobe Acrobat Reader and related software.
• You can also export structures in Chemical Markup Language (CML) format.
• Convert SMILES strings to structures, and convert structures to SMILES. (Stereochemical designations excepted.)
• A new module - ACD/Name Freeware - is now available as a button on the ChemSketch toolbar. For any drawn structure containing no more than 3 cycles and 50 atoms (including H), and only elements H, C, N, P, O, S, F, Cl, Br, I, Li, Na, K in their common valences, this will generate accurate systematic names according to IUPAC recommendations on Nomenclature of Organic Chemistry.
• The atomic mass can be calculated, not just for averaged mass, but also for the most commonly occurring isotope.
• The online Instructions for Authors has been expanded and updated with the latest information from your favorite journals.
• There are new templates, and some enhancements to existing templates.
• In Release 5.0, ChemBasic programs can be accessed, whether you are in Structure or Draw mode.
• The Forms Manager feature is now part of the ChemSketch feature set dedicated to ChemBasic. With the Forms Manager, you can design input forms for ChemBasic programs.
• The ChemBasic Organizer is a new tool in ChemSketch that helps you keep track of your ChemBasic programs. Depending on how crowded your toolbars get, you may want to set a ChemBasic button to be available in just the Structure toolbar, both the Structure and Drawing toolbars, or only the ChemBasic toolbar.

Version 4.0 to 4.5

• New tools for drawing reactions in the Structure mode :

  	Reaction Plus
  	Reaction Arrows

• Reaction tab in Preferences allowing you to assign default configuration for Reaction Arrows and Reaction Symbol
• Optional possibility to manipulate (move, rotate, stretch, copy, delete) graphical objects in Structure mode; new scheme of selection of drawing objects in the Structure mode
• Import/Export of RXN reaction files
• Import of CS ChemDraw's CDX files

Version 3.5 to 4.0

• Now on the Atoms (left) toolbar you can find new tools for drawing radicals and ion-radicals quickly and easily:

  Radical
  Radical Cation
  Radical Anion

• Long File Names supported.
• Improved integration with ISIS Add-ins: now it is possible to paste structures from ISIS/Draw and ISIS/Base interface into ChemSketch by one mouse-clicking.

Version 3.0 to 3.5

• Isotopic labelling of atoms;
• Clear atom numbering command;
• Auto re-numbering command;
• Even better interfacing with our other software applications;
• Atom properties button more accessible;
• More powerful atom properties designation;
• Manual numbering possibility
• Ability to change the color of the page; and
• Molecular properties such as index of refraction, molar volume, estimated density are approximated for compounds containing second- and third-row elements.