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[ccp4bb]: mapmask and npo
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Hello,
I have a crystal with spacegroup P4212 and am having trouble plotting the
Harker section w=0.0. I use FFT to get a patterson map and then MAPMASK to
section the map, and NPO to plot (essentially following the toxd
MIR.exams). I am able to get Harker sections for u=0.5 and v=0.5, but
something goes wrong when I set
XYZLIM 0.0 0.5 0.0 0.5 0.0 0.0
I am also unclear on the "AXIS <fast> <med> <slow>/X Y Z" and how this is
related to SECTNS in NPO.
Thanks for any advice!
-Greg
Here is the script I am using:
#========================================================
mapmask mapin Pt1_14b2_patt mapout Pt1_14b2_patt_1X << END
AXIS Z Y X
XYZLIM 0.5 0.5 0.0 0.5 0.0 0.5
END
npo \
MAPIN Pt1_14b2_patt_1X.map \
PLOT Pt1_14b2_patt1X.plot \
<< END-npo
TITLE 15.0 - 3.5 ISO Patt X Harker
# Contour map
MAP SCALE 3
CONTRS SIG 1.0 1.5 2.0 2.5
SECTNS 8 8 1
grid 0.05 0.05
# Plot out
PLOT
END-npo
#=========================================================
mapmask mapin Pt1_14b2_patt mapout Pt1_14b2_patt_1Y << END
AXIS X Z Y
XYZLIM 0.0 0.5 0.5 0.5 0.0 0.5
END
npo \
MAPIN Pt1_14b2_patt_1Y.map \
PLOT Pt1_14b2_patt1Y.plot \
<< END-npo
TITLE 15.0 - 3.5 ISO Patt Y Harker
# Contour map
MAP SCALE 3
CONTRS SIG 1.0 1.5 2.0 2.5
SECTNS 16 16 1
grid 0.05 0.05
# Plot out
PLOT
END-npo
#==========================================================
mapmask mapin Pt1_14b2_patt mapout Pt1_14b2_patt_1Z << END
AXIS Y X Z
XYZLIM 0.0 0.5 0.0 0.5 0.0 0.0
END
npo \
MAPIN Pt1_14b2_patt_1Z.map \
PLOT Pt1_14b2_patt1Z.plot \
<< END-npo
TITLE 15.0 - 3.5 ISO Patt Z Harker
# Contour map
MAP SCALE 3
CONTRS SIG 1.0 1.5 2.0 2.5
SECTNS 8 8 1
grid 0.05 0.05
# Plot out
PLOT
END-npo
PLOT
mapmask mapin Pt1_14b2_patt mapout Pt1_14b2_patt_1Z << END AXIS Y X Z
XYZLIM 0.0 0.5 0.0 0.5 0.0 0.0 END