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[ccp4bb]: DM - NCS average
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Hi,
I am trying to use DM for NCS AVERaging. I hav 12 copies of a dimer in AU.
So, I am averaging the dimer unit. When I execute the dm script, neither
it executes(CPU monitor shows no activity) nor it produces any error
message. I have waited for more than 6-7 hrs. There must be catch in my
script for sure.. any pointers as what mistake i have done? I would
appreciate your help.
hav a look at the script :
--------------------------------------------------------
#
# NON-CRYSTALLOGRAPHIC SYMMETRY AVERAGING WITH AUTOMASK
#[ A averaging calculation. No input averaging ]
#[ mask is required, the the NCSMASK NMER keyword is ]
#[ added. Mask is updated occasionally. ]
#
dm hklin an_cr2sigmaa.mtz hklout an_cr2dm.mtz
<< MY-DATA
SOLC 0.51
NCSMASK NMER 12 UPDATE 4
NCYC 10
MODE SOLV HIST AVER
COMBINE PERT
AVER REFI
ROTA POLAR 0.0 0.0 0.0
TRANS 0.0 0.0 0.0
AVER REFI
ROTATE EULER 9.31703 118.07500 14.97913
TRANSLATE 32.33578 -7.74768 46.05556
AVER REFI
ROTATE EULER 164.34761 119.12077 170.83229
TRANSLATE 57.04405 -3.09500 -4.59729
AVER REFI
ROTATE EULER 163.90109 -56.65704 16.01099
TRANSLATE 37.42472 31.87961 -14.67980
AVER REFI
ROTATE EULER 8.53958 -66.21269 171.99561
TRANSLATE 56.60130 24.98391 38.29200
AVER REFI
ROTATE EULER 165.40738 -175.00908 -7.67949
TRANSLATE 0.80886 29.52817 28.53292
AVER REFI
ROTATE EULER 173.47414 59.58735 -170.79063
TRANSLATE 70.81509 -8.05054 74.53029
AVER REFI
ROTATE EULER 12.10064 60.76822 -3.55467
TRANSLATE 47.75955 -7.87001 125.98346
AVER REFI
ROTATE EULER 102.89784 174.60793 103.43655
TRANSLATE 104.76361 -5.45986 120.78203
AVER REFI
ROTATE EULER 62.28097 -6.94349 124.03066
TRANSLATE 103.13129 26.77161 94.44754
AVER REFI
ROTATE EULER 12.83137 -123.47861 -169.40572
TRANSLATE 67.73838 26.19091 138.78674
AVER REFI
ROTATE EULER 173.13881 -115.38959 -2.82774
TRANSLATE 47.80469 23.43495 85.50771
LABIN FP=F SIGFP=SIGF FREE=FreeR_flag PHIO=PHIC FOMO=WCMB
LABOUT PHIDM=PHIDM FOMDM=FOMDM
END
MY-DATA
----------------------------------------------
thanks,
Anil
_____________________________________________________________________
Anil Kumar P, Department of Physics, Indian Institute of Science,
Bangalore - 560 012, INDIA Phone:+91-80-3092718 FAX:+91-80-3601683
_____________________________________________________________________