Dear All I have a theoretical model structure in hands with some regions structurally meaningful and others not. I'd like to use Modeller to modify only some regions of this model, I mean, those elements of sec. structure that looks like an helix but have some distortions on it. I guess that some EM/MD steps in Modeller could fix that. Would be nice if Modeller could re-design these regions considering the presence of the rest of the protein (without modifying obviously the rest of the model - only the chosen elements). I was looking through the manual and tutorials but couldn't find nothing very helpful. Any hont will be very welcome. Frank Alarcon www.lncc.br
Hi Frank, Subroutine 'select_atoms' might be what you need. FAQ 2 in manual... Good luck, Bozidar > Dear All > > I have a theoretical model structure in hands with some regions > structurally meaningful and others not. > I'd like to use Modeller to modify only some regions of this model, I > mean, those elements of sec. structure that looks like an helix but have > some distortions on it. I guess that some EM/MD steps in Modeller could > fix that. > > Would be nice if Modeller could re-design these regions considering the > presence of the rest of the protein (without modifying obviously the > rest of the model - only the chosen elements). > > I was looking through the manual and tutorials but couldn't find nothing > very helpful. > > Any hont will be very welcome. > > Frank Alarcon > www.lncc.br > -- Bozidar Yerkovich, PhD Rockefeller University New York, NY, 10021, USA 212-327-7206 bozidar@salilab.org http://salilab.org/modeller
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