TWC BioSearch
Discount Research Software Agent
Alchemy 2000TM by TriposTM
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
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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.
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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.
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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.
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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:
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build, analyze and modify chemical models
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visualize molecular structures, including proteins and polymers
in a fast, real-time environment
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convert you 2D chemical drawings into accurate 3D representations
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compute energies and stereochemical properties
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calculate molecular properties and graph results
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organize results in Alchemy tables or export to Excel
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prepare superior presentations using Alchemy's "presentation
pane"
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print directly to high-resolution color printers
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customize your system with specialized application tools
for 3D structure-based prediction, property prediction and more
Requirements:
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486 processor or higher
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16 megabytes of RAM
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20 megabytes of free hard-disk space with 60 megabytes of
swap space
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SVGA monitor
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Windows 95, 98 or NT
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