This product has now been discontinued
A chemical discovery system for the personal computer with advanced molecular
graphic displays, accurate energy calculations, and customizable tools that
allow you to tailor the program for your research team. Alchemy 2000 delivers
high performance visualization with all types of chemical structures including
proteins, polymers, and small molecules. Local databasing, graphing, batchmode,
and spreadsheet capabilities provide a means for expanded analysis and investigation
on all families of chemical compounds. Alchemy 2000 includes application
modules for specific research needs including QSAR, Protein, Polymer, LogP,
and more. This is a complete chemical discovery system built on next generation
technologies that is easy to use, comprehensive, and powerful. Exciting
New Features
- Molecular Dynamics: examine the vibrational motion of the
molecules as a function of time with this tool. Calculations are carried
out by MM3, and you may monitor distances and angles throughout the
run. Dynamic playbacks animate the results to give you visual insights.
Results are returned in a table format that allows you to see any individual
frame, to graph locally or export to Excel. You may even create an .avi
file that can be viewed by generic movie viewers. Alchemy 2000's Molecular
Dynamics is even easier with a wizard that leads you through
setting up the calculation and data reporting.
- Conformational Searching: explore the conformational spaces
of flexible molecules to find global minima geometries that satisfy
specific distance constraints. Searching can be done systematically
by stepping through selected dihedrals in specified increments or by
randomly assigning values to the dihedrals. You can also explore the
conformations of flexible rings. Conformational searching efforts are
enhanced with the convenience of the Alchemy 2000 Conformational
Search Wizard.
- Intermolecular Interactions: create an energy function describing
the interaction of a small molecule at the site of a large molecule
and minimize it to determine a geometry for the small molecule at this
site. Alchemy 2000 provides tools to help you position the smaller molecule
at a site and control which atoms of the larger molecule take part in
the minimization process. Alchemy's Molecular Interactions Wizard
leads you through the entire interactive process for selecting the molecules,
docking them and determining the atoms that contribute to the energy
function.
- Internet Helper Application: works with your browser to display
molecules when they are downloaded to you machine. Alchemy acts as an
Internet Helper to facilitate data sharing for collaborative chemistry
efforts.
Alchemy 2000 also lets you:
- build, analyze and modify chemical models
- visualize molecular structures, including proteins and polymers in
a fast, real-time environment
- convert you 2D chemical drawings into accurate 3D representations
- compute energies and stereochemical properties
- calculate molecular properties and graph results
- organize results in Alchemy tables or export to Excel
- prepare superior presentations using Alchemy's "presentation pane"
- print directly to high-resolution color printers
- customize your system with specialized application tools for 3D structure-based
prediction, property prediction and more
Requirements:
-
486 processor or higher
- 16 megabytes of RAM
- 20 megabytes of free hard-disk space with 60 megabytes of swap space
- SVGA monitor
- Windows 95, 98 or NT
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