No idea why this is happening to you, but before analysing symmetry stuff it sometimes helps ro use PISA to generate the best assembly for your 2 molecules in the asymmetric unit. All the symmetry search things only use a limited number of unit cell translations
Eleanor On 18 May 2015 at 05:45, Joel Tyndall <joel.tynd...@otago.ac.nz> wrote: > Oops, meant to say its 2 molecules per asymmetric unit > > > > J > > > > *From:* Mailing list for users of COOT Crystallographic Software [mailto: > COOT@JISCMAIL.AC.UK] *On Behalf Of *Joel Tyndall > *Sent:* Monday, 18 May 2015 4:11 p.m. > *To:* COOT@JISCMAIL.AC.UK > *Subject:* symmetry related molecules > > > > Hi all, > > > > I have a structure that we have almost completed (2.66 A ) and the space > group is P1, R factor is around 0.20940.25. When I turn on cell symmetry to > see related symmetry molecules, there are cases that some related molecules > can be seen and a specific case where there is an intersection of 3 related > molecules and one is missing. There is clear density for this but only one > of the 2 symmetry molecules are displayed. When the symmetry related > molecules are generated in Pymol, it is there and when that specific one is > read into Coot it fills the density appropriately. There is no overlap > crossover what-so-ever but there are numerous contacts. > > > > Is there something I am missing? > > > > J > > > > > > _________________________________ > > Joel Tyndall, PhD > > Associate Professor in Medicinal Chemistry > National School of Pharmacy > University of Otago > PO Box 56 Dunedin 9054 > New Zealand > > Skype: jtyndall > > > > Ph: +64 3 479 7293 > > >
