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PISA does just this - download pdb to ebi server; let iyt cluster molecules and read back the assembled fcoordinates - plus lots gf useful info.. Eleanor On Feb 24 2012, David Shin wrote: >Hi Gloria, > >It depends on if you mean hard as in thinking up a slick trick, or hard as >in maybe 20-30 mins of tedious work. I had the same problem with 18 in the >ASM, where the solution had scattered models, but didn't want to think >about it, so just used pymol. > >1) open the first model with the original 6 models > >2) then make separate files with each of the other subunits (with the CRYST >line) - with short names like m1.pdb, m2.pdb, m3.pdb etc. (this is so you >can read easily in the gui later for saving) > >3) then open m1.pdb > >4) on the left, go to the "A" or action menu for m1 .pdb > generate > >symmetry mates > within 100 Angstroms (this can be smaller or larger, just >need to see them) > >5) then you'll have the symmates on the screen and the list of each right >listed as m1_100-1-100 etc. So you can just click them on and off to see >which one you like, then save that molecule. > >6) Then delete the symmates "delete m1_*" so you can check > >7) Open the saved symmate to check > >8) go to step 3 for the next model, ie. m2.pdb > >not a slick answer, but can be done when tired with minimal error. > > On Thu, Feb 23, 2012 at 4:07 PM, Gloria Borgstahl > <[log in to unmask]>wrote: > >> Hello all, >> We are solving a superstructure of a protein complex with 2 parts. >> Built 6 of the first part and they are all sensibly stacked next to each >> other. >> Then we read this into molrep as the "fixed" model and solved for the >> second part. >> The solution was found but the 6 for the second model are in different >> ASU's and unit cells. >> What is the easiest way to get everyone together in one asu? >> >> We can think of hard ways to do it, but any advice? >> Thanks, Gloria >> > > > > -- Professor Eleanor Dodson YSNL, Dept of Chemistry University of York Heslington YO10 5YW tel: 00 44 1904 328259 Fax: 00 44 1904 328266