27 Apr
2011
27 Apr
'11
5:50 p.m.
On Wed, Apr 27, 2011 at 10:43 AM, Bradley Hintze
This shows my ignorance about mtz files. I'm having trouble with phenix.find_helices_strands. I got 3kat.mtz from Pavel's database. I run: $ phenix.find_helices_strands 3kat.mtz labin="LABIN FP=2FOFCWT PHIB=PH2FOFCWT"
The labels need to actually be present in the MTZ file. The file you're using (assuming it's the same one you sent us earlier) only contains amplitudes and R-free flags. For this particular application (and phenix.fit_loops as well), you need to supply map coefficients - it won't calculate them on the fly. -Nat