What's new in ChemSketch 2021.1.3 Build 121153
Dec 1, 2021
- Version 2021 of ChemSketch adds new features, including representation of complex molecules with graphical objects, and improves existing ones. Read below for details, and contact us for help upgrading your software.
- Improved Data Import:
- You can now import/export data from/to ChemDraw .cdxml files
- New Features:
- More Data Types Can Be Included in Database Records:
- You can now represent large/complex molecules using graphical objects with defined formulas and modify them by attaching traditional chemical structures. The entire structure may be used in calculations and searches.
- Graphical Templates Added:
- We included templates for Viruses & Vaccines (including the Covid-19 Virus) and Laboratory Animals
- Improved Features:
- 3D Viewer Improvements:
- Create animated gifs from drawn structures
- InChI Updated to Latest Version:
- We added support for InChI version 1.06
New in ChemSketch 2020.1.1 Build 115819 (Aug 17, 2020)
- Improved import/export of ChemDraw .cdx files for structure display and page setup
- Insert ACD/Labs OLE objects into Microsoft Office 365 applications (e.g., Word, Excel, PowerPoint)
- Enhancements in report creation
- Many other improvements have also been made to the software. Contact us below to learn more and to discuss updating your software installation.
New in ChemSketch 2019.1.2 Build 111302 (Nov 15, 2019)
- As of v2019 ACD/Spectrus is compiled in a 64-bit architecture allowing the software to take greater advantage of system resources.
- General Improvements:
- Stereobond analysis has been improved to take bond direction into account when generating stereodescriptors
- Generation of sterodescriptors now takes bond direction into account.
- Copy/paste reactions to third-party applications as a complete reaction sequence (as opposed to a set of structures)
- Choose scaling options when inserting OLE objects to Microsoft Office applications
- General improvements in file import/export options including ChemDraw files, and preferences for exporting molfiles
- File import/export options have been expanded to include ChemDraw files, and detting your default preferences for molfile export.
New in ChemSketch 2018.1 Build 103226 (Sep 10, 2018)
- Enhanced Drawing Features:
- Conveniently edit structures by replacing atoms with keyboard shortcuts
- Calculated properties are updated on-the-fly as structures are edited
- Select from a variety of pattern or color options when working with Markush structures
- General Improvements:
- Improved support for post-transition metals (elements Mt to Og)
- Data Import/Export:
- Improved support for ChemDraw *.cdx, Biovia *.sks, and ChemAxon Marvin Sketch *.mrv
- Set your default for molfile export to V2000 or V3000
New in ChemSketch 2016.1 Build 86555 (Jul 9, 2016)
- General Capabilities:
- Generate Stereo Descriptors button provides single-click access to set R/S configurations for stereo centers
- Stereo-bond type and location are automatically selected in the structure
- Generate all possible structures for a given Markush representation
- Improved analysis of stereo-bonds removes ambiguity from complex stereochemical arrangements
- Ability to define mixed stereochemistry configurations (relative, racemic, and absolute) within the same structure
- Ability to customize the display of oligomers and generic polymers
- Ease of Use Improvements:
- Addition of several standard abbreviations for common chemical groups; groups can be expanded to show the complete structure
- Improved positioning of atom labels on the left side of structures
New in ChemSketch 2015 Build 76694 (Jul 9, 2016)
- General Capabilities:
- Support for the Unicode Standard (text and characters from all major writing systems)
- Improved handling of polymers—new options to specify copolymers, mixtures, crosslinks, grafts, modifications, stereotacticity, and other relevant parameters
- Enhanced recognition of ChemDraw objects including charges, formatted text, and Markush structures
- Improved handling of undefined stereo bonds (now represented with a wavy line)
- Chemist Name version offers access to the IUPAC preferences from within ChemSketch interface
- Ease of Use Improvements:
- Text associated with reaction arrows is automatically added according to the current structure drawing style
- Improved export options for structures including pasting structures as images and retaining transparent Markush shadows in Adobe PDF and Microsoft documents
New in ChemSketch 12.01 (May 18, 2012)
- Possibility to generate Standard InChI and InChI Key.
- Ability to generate structure(s) quickly from an InChI notation or a SMILES string contained in the Clipboard.
- Calculating and displaying monoisotopic mass values for ions of different types.
New in ChemSketch 12.00 (May 18, 2012)
- General Capabilities:
- ACD/Dictionary has been expanded to over 30,000 well-known structures. Associated with these structures, there is over 165,000 corresponding chemical names and registry numbers.
- Possibility to set standard InChI options: to increase the role of InChI and InChI key as universal structure identifier, IUPAC decided to define standard InChI options that need to be used to generate standard InChI and InChI key for a structure.
- Interface Enhancements:
- Application of the desired coloration theme to all of the ACD/Labs programs.
- Ability to expand the buttons of the currently running ACD/Labs programs over the Windows taskbar.
- The new intee controls for manipulating images and structure objects are made similar to those used by Microsoft Word, ChemDraw, and many other applications.
- Structure Mode:
- Customization of the atom numbers position: now atom numbers are located near the atom nodes by default that is more common for chemical drawings.
- Ability to copy all tautomeric forms generated by the tautomer verification tool in one click to the ChemSketch window.