Subject: Re: CCL:field fit in SYBYL

From: Andras.Borosy..at..givaudan.com
Date: Tue, 11 May 2004 17:59:47 +0200

Dear Colleague,

I tried to use Field Fit once, but I could not succed. I built several 
CoMFA modell, and I used DISCO and DISTILL as alignment tools.

Regards,

Andras Borosy
PhD Computational Chemist
Givaudan Schweiz AG
Fragrance Research
Ueberlandstr. 138
8600 D|bendorf
Switzerland
tel: + 41-1-8242164
fax: +41-1-8242926
e-mail: andras.borosy..at..givaudan.com

"Nadtanet Nunthaboot" <nadtanet..at..atc.atccu.chula.ac.th>
Sent by: "Computational Chemistry List" <chemistry-request..at..ccl.net>
10.05.2004 20:51

        To:     chemistry..at..ccl.net
        cc: 
        Subject:        CCL:field fit in SYBYL

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NeoMail - Webmail that doesn't suck... as much.
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  Dear Cclers,
 
  I try to use CoMFA in SYBYL6.8. I got the poor q2 (0.3)value . I 
want to know the alignment method  especiallly " Field Fit " 
alignment. I try to use field fit in SYBYL  follow the manual but not 
success. I can not align my compounds by field fit method. Any body 
known about these procedure or method to use field fit  alignment in 
SYBYL? Pleaes tell me about informations or datails about how to align 
compounds by field fit method. I will appreciate for your help. Thank 
you very much.

Best Wishes,
Nadtanet

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