2.41 *******************
* HNDCHK WRITE-UP *
*******************
HNDCHK is an interactive program to examine electron density
values at specified locations within a map, usually for the
purpose of determining the absolute configuration (hand). The
program prompts for the parameter file, name of the map file and
for the coordinates to be examined. The map file is read and the
minimum and maximum density values along with sigma for the map
are listed. Density values are then interpolated both at the
specified coordinates and at places related to them by a centre
of symmetry, and are listed. In general, one would compute MIR,
SIR etc phases, possibly solvent flattened, and then generate a
Bijvoet difference Fourier map (with coefficients from MRGBDF)
to be used with HNDCHK. One would then examine density values
exactly at the input heavy atom positions used in the phasing.
If the hand was correct, then large positive peaks should occur
at the input sites, whereas if the hand was incorrect larger
NEGATIVE peaks should occur at the TRUE heavy atom locations, i.e.
at places related to the input (incorrect) positions by a centre
of symmetry.
***** FILES *****
INPUT FILE - Standard FSFOUR map, usually computed with the
Bijvoet difference Fourier option (MAPTYP=8)