Alchemy 2000: Next Generation Modeling and Analysis
1 c
κζ.
π
e
Now for the first time there is a complete system that lets research teai access, mine, share and present chemical findings from their desktop PCs. Alchemy 2000 and its specialized modules form a suite of tools t address the needs of small molecule, protein and materials chemists. The customizable environment means you and your research team car tailor the programs for your working needs.
See Your Molecules in a New Way Alchemy 2000 delivers superior performance from your desktop compi er, giving you the visualization power you might expect only on high-en systems. Alchemy 2000 lets you view and manipulate your chemical structures in real time, and delivers smooth, real-time rotation in a vari< of high-quality graphic modes, including: ball and stick, spacefill, trans parent spacefill with embedded wireframe, cylinder, wireframe, tubes, r bon displays (for proteins). You have several labeling options with Alchemy 2000. The atom types are colored on the screen for easy reference, and text labeling is also available. You may also label your structure by symbol, atom type, nui ber of charge.
Alchemy 2000's molecular graphics engine is designed to simultaneous ly handle a variety of structures in your choice of display modes.
The days of being restricted to one or two viewing windows to work wit molecular structures are gone. Alchemy 2000's multiple window envirc ment allows you to open or establish any molecular windows on the screen at one time (limited only by available memory).
Molecular Building Tools for Your Application
The Alchemy 2000 chemical discovery system includes special tools th make it easy to build and modify specific types of complex molecular structures: 2D Sketcher Builder, Protein Editor and Builder, Element an Fragment Builder, Molecular Mechanics, Semi-Empirical, Property Calculations, Graphing. These tools make it a simple task to build, view and modify a molecula structure. This means you can try new ideas and alternatives quickly.
Protein Exploration Proteins can be built using the Alchemy 2000 protein builder. The amino acid sequence can be specified using a few clicks of the mouse button.
Scientists working with large molecules will find Alchemy 2000's tools f protein building and analysis easy to use and powerful. Engineered to handle structures containing hundreds of atoms, such as proteins, Alchemy 2000 delivers the fast, high-quality visualization that is so imp tant for macromolecular research, as well as an interactive layout of all amino acids for viewing and selecting residues of interest.
Works with Existing Tools
The software you use for other chemistry applications, such as databa: management, 2D structure drawing or other modeling, will work side-b; side with Alchemy 2000. In addition, the files created from the most pc ular chemistry software packages can be used by Alchemy 2000.
Discover New Leads More Quickly The ribbon display is one of many display options, all manipulable in realtime.
Alchemy 2000 delivers an integrated system that takes advantage of today's desktop computing power. Along with the optional application modules, Alchemy 2000 may be customized for your research environ ment. Your team has unique needs and goals, and rather than limit yo potential, Alchemy 2000 offers a level of flexibility that expands the pos bilities for innovative applications.
arget Your Expertise
m^mÊÊmmm^m^m^mwm^mwm
η important part of the Alchemy 2000 chemical disovery system is the specific application modules vailable as options. These modules provide a conveient way for you to tailor the system in a way that est addresses your research issues.
iciQSAR or establishment of structure-activity relationships. las up to 17 generated descriptors with regression nalyzer, interactive graphics, export capability to xcel and batchmode analysis.
iciProtein or homology and motif searches and creating secndary structure predictors. Contains internal comressed PDB database, sequence alignment and roperty analysis mapping features.
SciProtein is a comprehensive Alchemy 2000 module for the exploration of protein structure and function. ISciPolymer's 650 polymer \property database can \help you locate polymers \with acceptable proper\ties and then re-engineer to improve them.
jjtlffi^'l^
iciLogP or estimation of LogP. Based on 3D structures and iolecular descriptors. Use built-in predictors or build ur own. Includes 3D structure database and LogP lues, regression analyzer and batchmode capability.
jffigl QSQ gjffgSLJ^BL* I fS^1 SciQSAR provides insight into your compounds by predicting activities and properties.
iciPolymer or de novo design of polymers. Predicts 35 polymer roperties, has three relational databases of properties nd structures, exports data to Excel and has batchîode design capability.
SciLogP predicts LogP | values for a range of complex molecules.
ÎciGlass L highly comprehensive relational database (40,000 ntries). Contains glass properties, compositions, scipes, advanced property predictions, extensive raphics and curve fitting routines.
:*
Ο.
Tripos
)rder Today! Jchemy 2000 and the powerful application modules re available now. Call, fax or e-mail us for current ricing.
800-323-2960
νΗ
314-647-1099 314-647-9241 (Fax)
SciGlass predicts glass properties, compositions and more.
http://www.tripos.conn CIRCLE 12 ON READER SERVICE CARD
Discover what Alchemy 2000 can do for you today! îase send me further information on: Please Complete Alchemy 2000 Name Position SciQSAR Company SciPolymer Address SciProtein SciLogP SciGlass City_
ix this card now to 314-647-9241
State Tele Fax
Zip
_
Phone E-mail
