Subject: Re: CCL:mailing ccl (fwd)

From: [email-masked] (Harry C. Johnson)
Date: Mon, 20 Mar 95 12:52:21 -0800

>>>>> "Loh" == Loh Chang Shiung <[email-masked]> writes:

    Loh> Hello, Anyone knows if there are good packages that use
    Loh> genetic algorithms or simulated annealing to determine
    Loh> minimum structures of small molecules (ex: short peptide
    Loh> chains)?  I will post a summary of relevant replies.

Spartan 4.0 from Wavefunction Inc. has four new conformational
analysis methods, including a genetic algorithm and a Monte Carlo
approach.

For more information about Spartan, check out our web page at
http://wavefun.com.

-Harry

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|Harry C. Johnson       |  /--- ----\  /---/ ---\ ----- /---/ /|   / |
|Computational Chemist  |  \    /   / /   / /   /  /   /   / / |  /  |
|Wavefunction Inc.      |   \  /---/ /---/ /---/  /   /---/ /  | /   |
|E-mail: [email-masked]|---/ /     /   / /   \  /   /   / /   |/    |
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