Dear colleagues, For a particular MR problem I am dealing with, 'analyse_mr' suggests that there maybe a pseudo-translation vector as evidenced by the very significant non-origin peaks in the native patterson: e.g
GRID 80 112 80 CELL 104.8290 151.2840 109.4910 90.0000 118.1310 90.0000 ATOM1 Ano 0.0000 0.0000 0.0000 181.08 0.0 BFAC 20.0 ATOM2 Ano 0.9483 0.0000 0.0106 46.89 0.0 BFAC 20.0 ATOM3 Ano 0.0517 0.0000 0.9875 46.89 0.0 BFAC 20.0 ATOM4 Ano 0.9494 0.9911 0.0090 40.66 0.0 BFAC 20.0 ATOM5 Ano 0.0506 0.9911 0.9875 40.66 0.0 BFAC 20.0 ATOM6 Ano 0.0572 0.9911 0.0000 37.26 0.0 BFAC 20.0 BALBES also reports a pseudo-translation vector at 0.951 0.000 0.007, i.e. very similar to the output from 'analyse_mr'. Yet, Molrep fails to recognize this possibility (in "auto' mode for the PST) claiming that the 0.125 limit for the peak height compared to the origin has not been reached. When I look at the output from 'analyse_mr' it is quite clear the peak is at 0.25 of the origin peak. Why is there such a discrepancy in the interpretation of the native patterson map? Best regards Savvas ---- Savvas N. Savvides [EMAIL PROTECTED] for Structural Biology and Biophysics Laboratory for Protein Biochemistry - Ghent University K.L. Ledeganckstraat 35 9000 Ghent, BELGIUM Phone: +32-(0)9-264.51.24 ; +32-(0)472-92.85.19 Email: [EMAIL PROTECTED] http://www.eiwitbiochemie.ugent.be/units_en/structbio_en.html
