If you have a PSF file for the monomer, it's easy to create one for the dimer using the "classic" xplor interface. Try this:
struct @monomer.psf end vector do (segid = "A") (all) struct @monomer.psf end vector do (segid = "B") (not segid A) write struct output = "dimer.psf" end stop --JK On Feb 3, 2006, at 1:54 PM, wzhang14 wrote: > Dear all: > > Sorry to both you with a basic question, I am new to xplor. > I am trying to build protein structure with some NMR restraints. > the tutorial > is very clear and works fine for regular proteins. while when I try to > generate the psf file for dimers, I can only get the PSF file with > one chain > which causes problems later when applying NMR restrains that > requires seond > chain informations. I tried the manul but couldn't figure out a > easy way. Any > suggests? Your help is greatly appreciated! > > > Wei Zhang > BCMB > University of Tennessee > > > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
