Understanding self-rotation function
Steffen Graether
steffen at protein.biochem.queensu.ca
Thu Sep 24 15:34:11 EST 1998
Hello,
I am attempting to determine the symmetrical relationships between
molecules in the assymetric unit of my crystal. I'm using ccp4's polarfn
(the shell script run is shown below). The output is shown on our webpage
at crystal.biochem.queensu.ca:/rotation. Can I correctly conclude that I
have two 2-fold axes of symmetry?
Many thanks,
Steffen
#!/bin/csh -f
polarrfn hklin lowres.mtz mapout temp.map << EOF
TITLE self rotation
SELF 15.0 2.0
RESOLUTION 10 3
CRYSTAL FILE 1 BFAC -20
LABIN FILE 1 F=FLOW SIGF=SIGFLOW
LIMITS 0 180 5 0 180 5 0 180 5
MAP
FIND 5 100
EOF
polarrfn hklin lowres.mtz \
mapin temp.map \
plot 180.plt << EOF
TITLE self rotation
SELF 15.0 2.0
RESOLUTION 10 3
CRYSTAL FILE 1 BFAC -20
LABIN FILE 1 F=FLOW SIGF=SIGFLOW
LIMITS 0 180 5 0 180 5 0 180 5
READ 180 180
PLOT 10 10
EOF
--
*************************************************************************
*Steffen Graether steffen at crystal.biochem.queensu.ca *
*Dept. of Biochemistry *
*Queen's University, Kingston, Ontario, Canada *
*Voice (613) 545-6392 *
*Fax (613) 545-2497 *
*************************************************************************
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