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[modeller_usage] loop refinement
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] loop refinement
- From: Karsten Suhre <Karsten.Suhre AT igs.cnrs-mrs.fr>
- Date: Wed, 5 May 2004 11:27:50 +0200
- Organization: IGS
Dear Modeller users,
I am looking for a simple MODELLER top-script that allows to remodel an
already existing loop of a protein while leaving the rest of the molecule
unchanged, that is, the input would be a single PDB file and a residue range.
The idea is to generate a number of different conformations of that loop and
to evaluate them against X-ray crystallographic data (I am trying to model a
loop that is only barely visible in a low resolution dataset).
Thank you very much in advance,
Kind regards,
Karsten Suhre, IGS-CNRS, Marseille, France.