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Hey Sebastiano, try running molrep with the dyad option. This takes forever minus one day, but is more likely than anything to find a solution if your monomers are related by non-crystallographic symmetry (which you might not see in the self-rotation function if it is parallel to a crystallographic symmetry axis). I use the following command: molrep -f myData.mtz -m myModel.pdb -k myOptions > myOutput& The file myOptions must contain either of the following lines: _DYAD D _DYAD Y D ... Molrep tries to place two copies of your model Y ... Molrep places as many copies as possible. Check out the Molrep documentation: http://www.ysbl.york.ac.uk/~alexei/molrep.html#dyad_search Good luck! Andreas > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hi,Sebastiano , > In my opinion, the solutions with high clashes can not be the right > ones. You 'd better choice the other ones or change the model to serach > again. > GOOD LUCK! > LEO > > Pasqualato wrote: > >> >> Hi all, >> we're trying to solve a molecular replacement with phaser with data at >> 3.8 angstrom. >> We only have half of the model (of a different species) to search for, >> and have to look for four models in the asymmetric unit (not an >> straightforward case, indeed). >> The thing is, we start with not-so-nice Z scores for the first >> molecule, then when the program tries to fit the second molecule, we >> do obtain nice Z scores (even higher than 20) but with a huge number >> of packing clashes (not less than nine - and indeed the models >> superpose if we take a look at those solutions). >> So my question is: are these Z scores indicating we're somehow near to >> a good solution or do we have to consider as good only the (high) Z >> scores of those solutions which show very few clashes? >> Thanks a lot in advance, >> Sebastiano >> >> >> -- >> Sebastiano Pasqualato, PhD >> IFOM >> Istituto FIRC di Oncologia Molecolare >> via Adamello, 16 >> 20139 Milano >> Italy >> >> tel +39 02 574 303 325 >> fax +39 02 574 303 310 >> > >
