2.13 ******************
* PSRCH WRITE-UP *
******************
PSRCH is a program which searches the map computed by FSFOUR and
lists the coordinates and heights for the largest peaks (positive
or negative). Only unique peaks will be listed. It has other options
useful in small molecule crystallographic applications, but for
protein work only the peak list is used, hence the other options are
bypassed and will not be described. This is essentially the peak
search program used in the MULTAN78 direct methods programming
package.
INPUT DATA (UNIT 5)
CARD 1 PAMFIL (free format)
PAMFIL = Name of input file containing cell parameters
and symmetry information (used only to get
running log file name).
CARD 2 MAPFIL (free format)
MAPFIL = Name of map file input.
CARD 3 NPEAK, NEGP (free format)
NPEAK = Number of largest peaks to list (Max=180)
= 0 gives the default of (11*n)/9 where n = number
of independent atoms (excluding H) as input to
FSFOUR
NEGP = 0 to list positive peaks, 1 to list negative
peaks
***** FILES *****
The input binary map file should be the output file from FSFOUR.
FSFOUR must have been run with the parameter NORN=0 specifying the XZ
section orientation.