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A. ChemDraw Ultra - Chemically intelligent drawing package
- As well as drawing structures, printing and pasting them into Word & PowerPoint you can also:
- identify stereocentres using Cahn-Ingold Prelog rules
- create multiple page documents and posters within a single ChemDraw file.
- includes ClipArt, publication-quality EPS glassware art for use within your ChemDraw documents.
- you can import & export structures to/from other structural drawing packages such as ISIS/Draw
- you can create your own templates
- includes the ChemDraw Pro Plugin giving you the power of ChemDraw Pro within your web browser interface
- computes physical properties such as LogP, BP, MP and more.
- represent and manipulate polymers in ChemDraw.
- assign reference numbers to ChemDraw structures that appear in your MS Word documents to use as a reference.
- Name-Struct - key in a chemical name & ChemDraw will draw the structure
- Autonom - draw the structure & ChemDraw will name the structure for you using IUPAC standard names
- predict the proton & carbon 13 NMR shifts of your structure - displays the line spectra & correlates spectra information to the atoms
- Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.(Win)
- Peak-Struct NMR Correlation - Correlates atoms with NMR peaks.
- BioArt - A palette of customizable common biochemistry symbols including membranes and cellular structures
- Display and perform calculations on up to 1,400 chemical structures at a time in Excel. (Win)
- Assign reference numbers to ChemDraw structures that appear in your MS Word documents to use as a reference. (Win)
- Visualise your molecule in three-dimensions, visualise the solvent accessible sites, charge densities & much, much more using Chem3D Std
B. ChemOffice Pro
You get everything that is included in ChemDraw Ultra plus:
- ChemSAR (Win)
- ChemINDEX database of small molecule data on over 180,000 compounds from the web & the NCI on CD-ROM (Win)
- ChemRXN database of 29,000 organic reactions (Win)
C. ChemOffice Ultra
You get everything that is included in ChemOffice Pro plus:
- Advanced molecular modelling tools - MOPAC, semi-empirical method for analysing molecular models
- GAMESS & Gaussian Client providing a graphical user interface for users of Gaussian 98 & GAMESS(not included) (Win)
- CombiChem - use ChemFinder for MS Excel to build combinatorial libraries with embedded ChemDraw structures. (Win)
- E-Notebook (Win)
- ChemMSDX database of over 7,000 material safety datasheets for commonly used laboratory chemicals
- The Merck Index 13th Edition on CD-ROM (Win)
- ChemACX database of 300 catalogues from leading chemical suppliers, including Sigma-Aldrich, Fisher, Acros, Alfa Aesar, Lancaster and TCI America, providing rapid ordering information for over 450,000 products. (Win)
- ChemACX-SC database of catalogues from leading screening compound suppliers. (Win)
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