2.29 *******************
* TRNMSK WRITE-UP *
*******************
TRNMSK is a program to transform a mask file constructed in a
"skewed" cell back to its conventional cell. In certain situations
(when the noncrystallographic symmetry is purely rotational), it is
highly advantageous to trace out the mask (via MAPVIEW) in terms of a
cell "skewed" such that the new b axis corresponds to the
noncrystallographic symmetry axis direction. In that case it is
usually obvious where the NC symmetry breaks down, and the envelope
mask for averaging is readily obtained. However, skewing the map is
not necessary for the averaging cycles, thus it is desirable to
transform the "skewed" mask, once created, back to the original cell
for all subsequent calculations. TRNMSK accomplishes this.
INPUT DATA (UNIT 5)
CARD I PAMFIL = Input file containing cell parameters and
symmetry, used only to get "running log" file
CARD II INPMAP (free format)
INPMAP = Input map file (corresponds to region extracted
from original map before it was
"skewed")
CARD III INPMSK (free format)
INPMSK = Input mask file (skewed)
CARD IV OUTMSK (free format)
OUTMSK = Output mask file (unskewed), covers same region
as INPMAP
CARD V PHI, PSI, OX, OY, OZ (free format)
PHI =
PSI =
Input spherical polar angles and origin as
OX =
originally input to SKEW
OY =
OZ =
******** FILES ********
INPUT MAP - As described for SKEW
INPUT (AND OUTPUT) MASKS - As described for SKEW