Adept Scientific (Letchworth, Herts.) is pleased to announce that PerkinElmer (Waltham, Massachusetts) has released a new version of its industry-standard desktop applications for chemical structure drawing and analysis, 3D molecular modelling and visualisation, and database search and management. ChemBioDraw® version 14.0 delivers integration with the CAS SciFinder® database; increased compatibility with third-party applications; a gel electrophoresis plate tool; and more.
With new ChemBioDraw Ultra version 14.0 software, users can search the SciFinder database – the world’s largest collection of molecular substances, reactions and related content – from within the ChemDraw interface. Simply open or draw a structure or a partial or complete reaction, select the components, then click to see the results in SciFinder, immediately – there’s no time-consuming cutting and pasting to do. This convenient, easy-to-use feature brings built-in chemical intelligence to the user’s searches.
To help users interact with third-party applications, ChemBioDraw 14.0 has two new “copy to clipboard” commands, for molfile and CDXML. This allows users to exchange structural information with other applications that can use these file formats. All the components of the ChemBioDraw 14.0 can now generate v2000 and v3000 molfiles, so users can work with an even greater range of structural descriptors.
ChemBioDraw 14.0 includes a biopolymer toolbar with disulphide and lactam bridges, beta and D-amino acids, DNA, RNA, protecting groups and linkers. Users can paste peptide, DNA and RNA sequences and have them interpreted chemically with sequence wrapping and shaping.
A new gel electrophoresis plate tool which provides arbitrary rotation for lane labels, plus the ability to drag and position band labels, paste data from Excel and other sources, and copy and paste between lanes.
Calculators for pKa, LogP and LogS enable scientists to explore important bio-availability properties such as acid dissociation, distribution and aqueous solubility for putative compounds. (The pKa and LogS calculators are only available with the Windows version of ChemBioDraw 14.0.)
For those who don’t need biology tools, the ChemDraw® Pro 14 Suite offers state-of-the-art drawing tools, properties prediction and much more. Although it doesn’t support the one-click SciFinder search facility, it has extensive online database querying capabilities. It also includes the gel electrophoresis plate tool.
ChemDraw® Standard 14.0 includes all the tools needed to draw publication-ready chemical structures and reactions. Its many additional features include structure clean-up and the ability to expand and contract labels; and it integrates smoothly with Microsoft® Office®.
For those needing to explore the structure and properties of large chemical and biological models, ChemBio3D® Ultra 14.0 (which includes ChemDraw Pro 14.0) brings workstation-quality molecular graphics and rigorous computational methods to the desktop. It features a Structure Browser to view sets of small structures and their properties for analysis and comparison. This latest version allows users to set up AutoDock runs to dock flexible ligands into receptors of known 3D shape and compare the goodness of fit; and to set up CONFLEX® runs to quickly explore conformational space and identify minimum energy conformations for small and large molecules.
ChemBioDraw, ChemBio3D and ChemBioFinder™ – a chemically and biologically intelligent database manager and search engine – are all included in the top-of-the-range ChemBioOffice® Ultra 14.0, which provides biologists and chemists with a comprehensive, integrated, up-to-date suite of scientifically intelligent applications for increased personal productivity and enhanced decision-making.
Organisations with a current site licence to ChemBioOffice Ultra 14.0 will be entitled, at no extra charge, to use an enterprise-deployable version of the ChemDraw for iPad® mobile application (“CDSL”) that can be made available site- and campus-wide, to add the benefits of mobile access to key ChemDraw functionality for drawing and sharing structures and reactions.
ChemBioDraw, ChemDraw Pro, ChemDraw Standard and ChemBioOffice are available for both Windows and Mac platforms. ChemBio3D is a Windows application.
These new versions of PerkinElmer desktop chemistry and biology software are available from Adept Scientific in the UK, Ireland, Germany, Austria and the Nordic countries. Details and prices can be found at http://www.adeptscience.com/chembiodraw
About Adept Scientific
Adept Scientific is one of the world’s leading suppliers of software and hardware products, consultancy and training for research, engineering, scientific and technical applications on desktop computers. The company, founded in 1984, has offices in the UK, Germany, France and throughout the Nordic region, serving customers in 19 countries. Full details and contact information for all Adept Scientific international offices are available at www.adeptscience.com; or telephone +44 (0) 203 695 7810.
PerkinElmer, Inc. is a global leader focused on improving the health and safety of people and the environment. The company reported revenue of approximately $2.1 billion in 2012, has about 7,500 employees serving customers in more than 150 countries, and is a component of the S&P 500 Index. Additional information is at www.perkinelmer.com.