From owner-chemistry@ccl.net Tue Nov 25 12:33:01 2008
From: "Nicola Giacche nicolag%chimfarm.unipg.it" <owner-chemistry()server.ccl.net>
To: CCL
Subject: CCL: Iinduced Fit Docking with Prime and Glide
Message-Id: <-38176-081125083920-8773-5D/tWg1vrepnJbkv8NqSgw()server.ccl.net>
X-Original-From: "Nicola Giacche'" <nicolag!=!chimfarm.unipg.it>
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Date: Tue, 25 Nov 2008 14:02:20 +0100
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Sent to CCL by: "Nicola Giacche'" [nicolag]*[chimfarm.unipg.it]
directly you can ask to help(at)schrodinger.com to have the correct answer.
bye

Jean-Christophe Poully poully%a%galilee.univ-paris13.fr ha scritto:
>
> Sent to CCL by: Jean-Christophe Poully [poully..galilee.univ-paris13.fr]
>
> Dear CCLrs,
>
> I am a newbie using the Induced Fit Docking softwares from 
> Schrödinger, Prime and Glide, and I am trying to dock a small ligand 
> to Beta Amyloid. The protein preparation, Glide first docking and 
> determination of residues for refinement steps succeeded but 
> unfortunately the Prime active site refinement failed and I found in 
> the log file that all the jobs died because the "SEQ_FILE option" was 
> not specified. I have no idea of what happened, if somebody has a clue 
> it would be really great! Thank you very much by advance...
>
> Best regards,
>
>
>
>
> Jean-Christophe Poully
>
> Doctorant dans l'équipe AMIBES
> Laboratoire de Physique des Lasers
> Institut Galilée
> 99, avenue JB Clément
> 93430 VILLETANEUSE
>
> Bureau B002
> 0149403853
>
>
> -=his is automatically added to each message by the mailing script =-http://www.ccl.net/chemistry/sub_unsub.shtmlConferences: 
> http://server.ccl.net/chemistry/announcements/conferences/>
>
>

-- 
Nicola Giacchè,

PhD Student
Bachelor Degree in Medicinal Chemistry and Technology of Drugs

University of Perugia
Department of Medicinal Chemistry and Technology of Drugs
Via del Liceo, 1 - 06123 Perugia (Italy)
Tel ++39 075 585 5169/5156
E-mail: nicolag---chimfarm.unipg.it