GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. GAMESS is a program for ab initio molecular quantum chemistry. ChemScript allows the extension of one's own chemistry business rules and executes those rules on data in a batch mode. Produce names for many more types of compounds, including charged compounds and salts, highly symmetric structures, many types of inorganic and organometallic compounds, and others.Įxtends the Python scripting language and takes many of the CambridgeSoft "chemical intelligence" algorithms, that are available throughout our products, and makes them available to users through an object model in an easy to use scripting language. Chemical shifts and splitting patterns are clearly displayed and live-linked to the structure for both proton and carbon-13 NMR predictions. Predict Proton carbon-13 NMR spectra from ChemDraw structures.
CHEMDRAW ULTRA 2008 INSTALL
This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). Query online databases and view & publish online structures. Offers chemical spreadsheets with structures and searching of chemical structures in documents, folders and volumes. Search by structure and text, and navigate through a complete visual audit trail.īuild combinatorial libraries in Microsoft Excel using reagents selected by ChemFinder.Ĭorrelate chemical and biological activity data, create graphical representations of ChemFinder databases in order to identify trends and correlations within subsets of your data, calculate descriptive statistics and display them on the plot. Maintain configurable lab journals with pages from ChemDraw, Microsoft Word, Excel, PowerPoint and spectral software. Store, search and analyze relational scientific data, either within a structure-searchable local database, or as an interface to shared scientific data.
CHEMDRAW ULTRA 2008 WINDOWS
Offers state-of-the-art facilities for data processing, visualization and analysis of high-resolution (2D) NMR data, combined with a robust, user friendly graphical interface that fully exploits the power and flexibility of the Windows platform. Includes Live Link to view your 2D structures live in 3D. Molecular mechanics and semi-empirical calculations with interfaces to MOPAC, Jaguar, GAMESS and Gaussian. State-of-the-art protein visualization, open GL graphics and stereo glasses. The database search results include links to information resources found in the databases, structural properties, names & synonyms and chemical identifiers such as ACX ID's and CAS numbers. Perform dynamic database lookup using the Database Gateway HotLink. The undisputed standard for chemical and biological drawing, featuring proton NMR with peak splitting and highlighting, amino acid and DNA sequence tools, TLC plate drawing tool, Struct=Name, and stoichiometric analysis.