Dear De-Feng Li, Thank you for your reply. Actually, I already used the script. The script and the log file are at the bottom of the email.
Best wishes, Yu On Tue, May 15, 2012 at 3:18 AM, lidefeng <[email protected]> wrote: > Dear Yu Feng, > > You could try it in script, but not in the CCP4i. The same > problem could be found in DMMulti. > > Your sincerely > De-Feng Li > 2012-05-15 > > De-Feng Li, Ph.D, > National Laboratory of Biomacromolecules > Institute of Biophysics, Chinese Academy of Sciences > 15 Datun Road, Chaoyang District > Beijing 100101, PR China > > > ======= 2012-05-15 18:44:48 You writed in your letter:======= > > >Dear CCP4ers, > > > >I have a problem when I use DM to do NCS averaging. If I input 9 NCS > >averaging masks, DM works OK. However, if I input 10 NCS averaging masks, > >DM can not open input map file. The masks should be OK because they are > >generated by the same method. Do you have any idea how to solve the > problem? > > > >Thank you in advance! > >Yu > > > > > >DM script is as below: > > >-------------------------------------------------------------------------------------------------------------------------------------------------------------------- > >/usr/share/CCP4-6.0.2/ccp4-6.2.0/bin/dm \ > >hklin > > >/home/crystal/Documents/Ecoli/datasets/F111062011/130_10/reprocess/DM/xxxxx_refine33_phase.mtz > >\ > >ncsin1 E.msk \ > >ncsin2 F1.msk \ > >ncsin3 F2.msk \ > >ncsin4 D4.msk \ > >ncsin5 D5.msk \ > >ncsin6 D3.msk \ > >ncsin7 D2.msk \ > >ncsin8 D1.msk \ > >ncsin9 C5.msk \ > >ncsin10 C6.msk \ > >hklout xxxxx_dm.mtz <<EOF-dm > >SOLC 0.62 > >#RESOL 50 4.0 > >#NCSMASK SIZE 100000000 > >#NCSMASK UPDATE 3 > >#GRID 144 144 144 > >MODE SOLV hist AVER MULTI > >combine weight 0.15 > >combine pert > >scheme res from 4.5 > >NCYCLE 10 > >ncsmask overlap > >AVER DOMAIN 1 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 1 REFINE > >ROTA MATRIX -0.26665 0.52763 0.80654 0.60893 -0.55642 0.56533 0.74706 > >0.64187 -0.17293 > >TRAN -31.41600 172.23766 -96.59856 > > > >AVER DOMAIN 1 REFINE > >ROTA MATRIX 0.82271 0.34200 -0.45406 -0.55866 0.63407 -0.53465 0.10506 > >0.69353 0.71272 > >TRAN -141.48692 39.40455 -17.81890 > > > >AVER DOMAIN 1 REFINE > >ROTA MATRIX -0.35001 0.06658 0.93438 0.03939 -0.99554 0.08569 0.93592 > >0.06679 0.34582 > >TRAN -75.12174 220.50938 35.16329 > > > >AVER DOMAIN 2 REFIN > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 2 REFINE > >ROTA MATRIX -0.42731 0.24363 0.87066 0.39149 -0.81818 0.42109 0.81494 > >0.52080 0.25424 > >TRAN -7.42336 185.84557 -68.83428 > > > >AVER DOMAIN 2 REFINE > >ROTA MATRIX -0.42918 0.04126 0.90228 0.01801 -0.99837 0.05422 0.90304 > >0.03952 0.42774 > >TRAN -74.51554 219.69878 39.63858 > > > >AVER DOMAIN 2 REFINE > >ROTA MATRIX 0.94716 0.32039 -0.01558 -0.30765 0.89358 -0.32691 -0.09082 > >0.31442 0.94493 > >TRAN -121.99072 28.41423 20.60830 > > > >AVER DOMAIN 3 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 3 REFINE > >ROTA MATRIX -0.42590 0.08845 0.90044 -0.00887 -0.99557 0.09361 0.90473 > >0.03188 0.42480 > >TRAN -77.38764 220.87816 40.52480 > > > >AVER DOMAIN 4 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 4 REFINE > >ROTA MATRIX -0.34404 0.07038 0.93631 -0.03070 -0.99750 0.06370 0.93845 > >-0.00683 0.34534 > >TRAN -79.74300 222.43433 43.52758 > > > >AVER DOMAIN 5 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 5 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >AVER DOMAIN 6 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 6 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >AVER DOMAIN 7 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 7 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >AVER DOMAIN 8 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 8 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >AVER DOMAIN 9 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 9 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >AVER DOMAIN 10 REFINE > >ROTATE EULER 0.000 0.000 0.000 > >TRANSLATION 0.000 0.000 0.000 > > > >AVER DOMAIN 10 REFINE > >ROTA MATRIX -0.35957 -0.00781 0.93309 -0.00716 -0.99991 -0.01113 0.93309 > >-0.01068 0.35948 > >TRAN -70.14525 224.81303 43.77335 > > > >LABIN FP=FOBS SIGFP=SIGFOBS PHIO=PHIFMODEL FOMO=FOM > >LABOUT PHIDM=PHIDM FOMDM=FOMDM > >EOF-dm > > >------------------------------------------------------------------------------------------------------------------------------------------------------ > > > > > > > > > >Part of the log file is as below: > > >------------------------------------------------------------------------------------------------------------------------------------------------------ > > Grid dimensions 96 108 162 must contain the following prime > > factors for agreement with symmetry restrictions- 2 2 2 > > > >>>>>>> CCP4 library signal library_file:Cannot open file (Error) > > raised in ccp4_file_open2 <<<<<< > >>>>>>> CCP4 library signal ccp4_map:Cannot open file (Error) > > raised in ccp4_cmap_open <<<<<< > >>>>>>> CCP4 library signal ccp4_map:Cannot open file (Error) > > raised in MRDHDS <<<<<< > > dm: Error in opening input map file. > >Times: User: 0.1s System: 0.0s Elapsed: 0:00 > ></pre> > ></html> > ><!--SUMMARY_END--></FONT></B> > > >--------------------------------------------------------------------------------------------------------------------------------------------------------- > > > > ======================================================== > > > > >
