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[ccp4bb]: Error in running arp_warp.sh
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We tried to submit a run with "arp_warp.sh mode warpNtrace" for a
small protein at 1.75A resolution using an MTZ file generated by
SHARP/SOLOMON. Program crashed with the following
message:
Starting arp_warp in mode warpNtrace
warp_free.brk from "files" directory will be used.
Remove atoms if below 1.4 sigmas in 2mFoDFc map.
Add atoms in density above 3.2 sigmas in mFoDFc map.
100 ARP refinent cycles will be run in total.
Rebuilding of the model will happen every 20 cycles.
Refmac_5.0.36: Too little time to do everything
QUITING ... CHECK ERROR MESSAGE
We couldn't find any other error messages from the log files output by
ARP/wARP. Can someone tell us what the message means. The warp.par file is
as follows:
set datafile = merge.mtz
set fp = FP
set sigfp = SIGFP
set protsize = 1632
set wilsonb = 21
set fbest = FPsha
set phibest = PHIshasol
set fom = FOMshasol
set restrcyc = 100
set restrref = 10
set cgr = 2
set wmat = 0.7
set wgrad = 1.0
set rc1 = 15
set rc2 = 15
set rc3 = 15
set models = 1
set procs = 1
set machine1 = kirin
set machine2 = DUMMY
set machine3 = DUMMY
set machine4 = DUMMY
set machine5 = DUMMY
set machine6 = DUMMY
set sym = 20
set cell = ' 49.9140 74.8770 107.8140 90.0000 90.0000 90.0000 '
set xyzlim = ' 0 0.5 0 0.5 0 0.5 '
set refmax = MLKF
set refmeth = CDIR
set freer = N
set freerml = N
set damp = ' 0.99 0.99 '
set rrcyc = 1
set bulkls = 'SBULk -0.75 BBULk 150'
set bulkml = 'SBULk -0.25 BBULk 80'
set fixbulk = '\#'
set scale = BULK
set scanis = Y
set eresol =
set phaseres = N
set phasblur = 0.5
set resol = ' 20 1.750 '
Many thanks,
Huiying Li
--------------------------------------------------
Huiying Li, Ph. D
Department of Molecular Biology and Biochemistry
University of California at Irvine
Irvine, CA 92697, USA
Tel: 949-824-4322(or -1797); Fax: 949-824-3280
email: hli@bragg.bio.uci.edu
--------------------------------------------------