Software and Computers

ChemBioOffice

ChemBioOffice at Stanford | Download and Install | Reactivate | Software Included | Databases Included

Software Included in ChemBioOffice Ultra 2008

ChemBioDraw Ultra is for both PC and Mac. All other software is PC-only.

ChemBioDraw Ultra 11.0

This ultimate chemistry and biology drawing application delivers all of the industry leading drawing, publishing and analytical features in ChemDraw combined with the biology features in BioDraw, providing a complete solution for both chemical structure drawing and analysis and biological pathway drawing. ChemBioDraw Ultra Chemical structure analysis tools include 13C and 1H NMR prediction with peak splitting and highlighting, Struct<=>Name, ChemDraw/Excel, Stoichiometric analysis, ISIS/Draw mode, Property predictions Live-Linked to the structure, a Live-Linked Database Gateway, Fragmentation tools, a TLC plate drawing tool, 3D structures live-Linked to the 2D structure and more! ChemBioDraw also offers a number of customization options such as custom Nicknames, Templates, HotKeys and even newly added ChemBioDraw Themes. Biological pathway drawing elements include membranes, DNA, enzymes, receptors, and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion, new Freehand Pen Tool, Annotation, a Plasmid mapping tool and amino acid and DNA sequence tools are also included.

ChemBio3D Ultra 11.0

Build and visualize 3D structures and macromolecules. Simultaneously edit structures using a ChemDraw window. Explore complex macromolecules using Model Explorer, a hierarchical tree-control. View and compare a set of small structures and their properties with the Structure Browser. Compute electronic properties and spectra with GAMESS, Gaussian, Jaguar and MOPAC. Select multiple molecules and align them with a target molecule. Analyze rotation about one or two dihedral angles and generate live-linked energy plots. View hydrogen bonds, kekule and delocalized aromatic bonds, ligands, and hydrating water molecules.

ChemFinder Ultra 11.0

ChemFinder Ultra is the ultimate database management system for chemical structure and information databases. Browse, create, search, and update local or enterprise (Oracle) databases with structural, numeric, and text data via user-customizable forms, including structural, sub-structural, and 3D structural queries, as well as linking to related data in sub-forms. Calculate values for physical properties, view and edit structures in a variety of modes, automatically create databases and forms for imported data, export and print. Easily manage saved queries, access favorite databases, and view database structure via the dockable Explorer Window. New features include the ability to perform R-Group Analysis, read Graphic Files from the database, Python programming and improved Tautomeric searching. ChemFinder Ultra adds CS Oracle Cartridge support and 3D searching to ChemFinder Pro.

Struct=Name Pro 11.0

Struct=Name contains the leading comprehensive methods for converting chemical structures into chemical names and names to structures. It can be used for many types of compounds, including charged compounds and salts, highly symmetric structures and many other types of inorganic and organometallics.

ChemNMR Pro 11.0

ChemNMR can be used to accurately estimate 13C and 1H (proton) chemical shifts. The molecule and the spectrum appear in a new window. The chemical shifts are displayed on the molecule and the spectrum is linked to the structure so that clicking on a peak in the spectrum highlights the related fragment on the molecule.

ChemDraw/Excel Pro 11.0

ChemDraw/Excel allows the user to create chemically knowledgeable spreadsheets within the familiar Microsoft Excel environment. You can build and manipulate chemical structures within Excel, compute chemical properties and perform database searches.

CombiChem/Excel Pro 11.0

Build combinatorial libraries in Microsoft Excel using reagents selected by ChemFinder.

Inventory Ultra 11.0

Inventory Ultra provides a complete desktop tool for tracking and organizing storage of chemical and biological entities. Inventory uses a cascading location model which allows users to define the granularity of the locations of their inventory items. Individual containers can be checked in or out or moved by users. Inventory Ultra also offers support for Audit Trails, Bar-coding, Duplicate checking, Role based security and access to Material Safety Data sheets (MSDS). Integration with the ChemACX database allows users to use Inventory Ultra with their purchasing process. ChemACX boasts an impressive list of major suppliers, from Alfa Aesar and Aldrich, to TCI and Zeneca with hundreds in between.

E-Notebook Ultra

E-Notebook Ultra allows users to maintain configurable lab journals with pages from ChemDraw, Microsoft Word, Excel, PowerPoint and spectral software. Search by structure and text, Draw reactions in ChemDraw and stoichiometric calculations dependant upon the reaction and other entered parameters, Retain a complete Audit trail of experiments at each save, including username and timestamp, share prewritten protocols that automatically add data from experiments using AutoText. Note that full-text searching is not available for this version of e-Notebook.

BioAssay Ultra 11.0

Store and visualize assay data using a flexible data structure. Define the observables and calculations for highthroughput, low-throughtput or in-vivo studies. View associated data in one comprehensive screen. Automatically calculate data and plot graphs upon new data entry. Import data from instruments, excel, or enter manually. Fit data to curve equations. Validate or invalidate data and remove outliers and tainted results. Graphically identify trends and correlate biological activity with chemical structures. Export data to Excel or BioViz for additional analysis.

ChemBioViz Ultra 11.0

Graphically identify trends and correlate biological activity with chemical structures. Perform statistical analyses and utilize a wide variety of flexible options for plotting graphs of results. Visually compare and rank chemical structures based on values of selected properties and the cost profile associated with each property. Create publication quality graphics that include chemical structures and biological pathways. Create and search relational scientific data with chemical structures.

MestReC Std

MestRe-C Std is a 1D only application for data processing, visualization and analysis of NMR data. The program provides a variety of conversion facilities for most NMR spectrometer formats and includes all the conventional processing, displaying and plotting capabilities of an NMR program, as well as more advanced processing techniques. MestReC Std is a 1D only version of MestReC which offers the user basic processing and analysis capabilities. The full version of MestReC is available through either the CambridgeSoft online store or directly through MESTRELAB RESEARCH. Limitations of the Std version of MestReC include the following

1. MestReC Std only reads and processes 1D NMR spectra. Arrayed experiments are not supported. In addition, INEPT & DEPT-like experiments acquired in Varian spectrometers cannot be processed with the Std version as they are recorded as arrayed or pseudo 2D experiments.
2. Apodization and Zero Filling are available only from the FT dialog box but not from the Process menu.
3. Interactive Apodization is not available.
4. Automatic Coupling Constants Analyser is not available.
5. Simulation of spin systems (Simulation menu in the Standard version) is not available.
6. Line fitting (deconvolution) required to analyze (e.g. integrate) overlapped peaks is not available.
7. The Analysis and spectral arithmetic modules are not available.
8. Smoothing and derivative options are not available.

ChemScript Pro 11.0

ChemScript allows users to perform multiple calculations or manipulations on chemical structures in batch mode up to 10,000 operations per day. Enforce structure orientation, perform template-based normalization, salt-stripping, generate canonical codes (molecular fingerprints), perform file format conversions and more.

ChemDraw ActiveX/Plugin Pro 11.0

This premier ActiveX Control/Plugin allows you to query online databases and view & publish online structures. This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). It adds save and print abilities to ChemDraw ActiveX/Plugin Net.

Chem3D ActiveX Pro 11.0

This premier ActiveX Control/Plugin allows you to view & publish online structures in 3D. This installer will automatically install the necessary Plugin or ActiveX controls based on your web browser(s). It adds save and print abilities to Chem3D ActiveX/Plugin Net.

GAMESS Pro 11.0

Chem3D Ultra provides a graphical interface to the GAMESS program for ab initio quantum chemistry. A variety of wavefunctions (RHF, ROHF, UHF, GVB, and MCSCF, CI and MP2 energy corrections) and basis sets are available. Users can also calculate vibrational frequencies and a variety of molecular properties, such as dipole moments, hyperpolarizabilities. GAMESS is maintained by the members of the Gordon research group at Iowa State University