Subject: [modeller_usage] question about mutate_model
From: Anna Marabotti <>
Date: Mon, 30 Jun 2008 17:24:54 +0200
I would like to use the script mutate_model to evaluate different conformations of the same mutant side chain
inserted in a protein. Therefore I used the script "mutate model" as suggested in the Wiki section, and
repeated the procedure 5 times, expecting to obtain 5 different conformations of the mutant side chain.
Instead, I obtained 5 identical proteins with side chains perfectly superimposable between each others. How
can I manage myself in order to obtain 5 different models of the same mutation? Moreover, this is probably a
naive question, but since repeated MD cycles generally do not produce identical results, why this protocol did
not work in such a way?
Many thanks and best regards
Anna Marabotti
______________________________________________
Anna Marabotti, Ph.D.
Laboratorio di Bioinformatica e Biologia Computazionale
Istituto di Scienze dell'Alimentazione, CNR
Via Roma 52 A/C
83100 Avellino (Italy)
Tel: +39 0825 299651
Fax: +39 0825 781585
Skype: annam1972
E-mail:
Web page: http://bioinformatica.isa.cnr.it/anna.htm
Funded by RNBIO: http://www.rnbio.it/
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