2.42 *******************
* SLOEXT WRITE-UP *
*******************
SLOEXT is a program to control the rate and range of phase
extension when extending phases to higher resolution by solvent
flattening, negative density truncation and/or NC symmetry
averaging. The program is automatically invoked by the "extnd.sh",
"extnda.sh" and "extndavg.sh" scripts, and functions by updating the
"extnd.d" or "extnda.d" files used by these scripts periodically
during the extension process. The initial and final resolution
cutoffs are specified by the user along with the number of map
modification/phase combination cycles to be carried out at each
resolution increment. The resolution is incremented in steps
corresponding to roughly one reciprocal lattice point in the
direction of the shortest reciprocal cell axis. If the initial and
final resolutions are equal, then there is no gradual extension and
only the number of cycles input is carried out. The controlling
scripts assume that the input to MAPINV specifies indices out to the
highest resolution to be encountered anywhere in the entire process.
Likewise, the "extrfl.d" file prepared by MISSNG also should contain
reflections out to the highest resolution.
INPUT DATA (UNIT 5)
RECORD 1 PAMFILE (free format)
PAMFILE = Input parameter file specifying cell and
symmetry information.
RECORD 2 DINIT, DFIN, NC_INC (free format)
DINIT = Initial d spacing cutoff (starting value,
usually the resolution of the initial phase set)
DFIN = Final d spacing cutoff (DFIN must be less than
or equal to DINIT. If DFIN = DINIT, then only
NC_INC cycles will be performed. Otherwise
for EACH RESOLUTION INCREMENT NC_INC cycles
will be performed).
NC_INC = Number of refinement cycles per resolution
increment (between 2 and 25).
RECORD 3 CNTFIL (free format)
CNTFIL = Name of file controlling phase extension. This
should be either "extnd.d" or "extnda.d" (UNIX
systems) or "extnd.dat" or "extnda.dat" (VMS
systems), depending on whether phase only or
phase plus amplitude extension is being done.
This file is referenced by the "extnd.sh",
"extnda.sh" and "extndavg.sh" scripts, or by
their VMS counterparts. The file is assumed to
exist and contains information as described in
the BNDRY write-up (option 3). It will be updated
periodically during the run.