[phenixbb] phenix.maps

Bradley Hintze bradley.hintze at duke.edu
Wed Apr 27 10:43:49 PDT 2011

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

and get:

PHENIX find_helices_strands
Wed Apr 27 13:12:19 2011
Commands: phenix.find_helices_strands  3kat.mtz labin=LABIN FP=2FOFCWT

#                       find_helices_strands
# Find secondary structure in a map defined by map coeffs in an input mtz
# Type phenix.doc for help
Input map resolution is 3.1  A
Labin line will be:  LABIN FP=2FOFCWT PHIB=PH2FOFCWT
To change it modify this by specifying FP= and PHIB= [and optionally FOM=]
like this:

Map from:  TEMP_3kat.mtz  using labin  LABIN FP=2FOFCWT PHIB=PH2FOFCWT
NOTE: ratio_trace_extra increased to    1.3 A as dmin > 3.0
NOTE: rad_sep_trace increased to    0.6 A as dmin > 3.0
Fixing sampling interval rad_sep_trace=   0.6 A
Optimizing CA-CA tolerance to obtain ratio of  4.0  for nonamers:atoms
Tracing chains at resolution of    3.1 A
 CCP4:  Error in label assignments in LABIN
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