Example Script
Following is an example script used in the long loop to calculate all the required information for the PHASE and RFACTOR modules. The particular example is from the refinement of native Thermolysin, which has very good MIR phases to 2.3Å resolution. The control file tln.tnt contains the cell constants, resolution limits, and the name of the observed structure factor file.
Long Loop Example
$tntbin/rfactor << $eof INCLUDE $tntdata/formfactor.dat INCLUDE tln.tnt INCLUDE init.cor CURVATURE phase.dat MODULE PHASE CURVATURE rfactor.dat $eof if ($status >< 0) then exit 1
Short Loop Example
$tntbin/rfactor << $eof INCLUDE $tntdata/formfactor.dat INCLUDE tln.tnt INCLUDE scales.dat INCLUDE shifted.cor FUNCTION phase.dat MODULE PHASE FUNCTION rfactor.dat $eof if ($status >< 0) then exit 1