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Re: [ccp4bb]: Re: AMoRe error message
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Dear David,
Thank you very much for your and Eleanor's suggestions. However, after many
failed trails, we found out that the "resolution mismatch error" was caused
by the problem in the mtz file. When we converted the hkl diffraction file
output from dtrek into the mtz format file using dtrek2mtz, the program
converted some of the reflections into their symmetry-related mates. During
this conversion, it output the intensity and SigI two columns into question
marks (?). I checked the source code of the program, but could not find the
rountine that checks the h k l indices and does the swap. I am wondering if
Dr. Pflugrath or the experts at CCP4 could help to check the problem and fix
it?
I include part of my hkl file output from dtrek scaling and the result from
dtrek2mtz (of course, I mtzdumped the mtz file) where the problem occurs.
Thank you very much in advance for your help.
Yadong
The hkl file outputed from dtrek scaling:
2 62 1 161.758 29.2432^M
2 62 2 107.019 34.6969^M
2 62 3 193.457 32.8326^M
2 62 4 80.8131 23.9222^M
2 62 5 93.2118 50.4113^M
3 0 -32 136.682 87.5348^M
3 0 -31 223.851 74.6982^M
3 0 -30 161.841 39.8326^M
3 0 -29 93.9452 48.0426^M
3 0 -28 1187.95 76.0687^M
3 0 -27 821.439 59.2674^M
3 0 -26 311.876 54.3817^M
3 0 -25 277.866 44.1910^M
3 0 -24 647.302 57.9753^M
3 0 -23 186.153 59.9397^M
3 0 -22 873.905 58.0852^M
3 0 -21 1735.63 72.2881^M
3 0 -20 483.740 43.6797^M
3 0 -19 145.670 37.5075^M
3 0 -18 2848.42 88.2907^M
3 0 -17 1319.10 59.6228^M
3 0 -16 97.8523 32.2805^M
3 0 -15 109.315 18.7068^M
3 0 -14 116.050 19.5559^M
3 0 -13 8055.70 166.148^M
3 0 -12 151.769 43.1511^M
3 0 -11 31.9890 24.1057^M
3 0 -10 3401.21 67.3707^M
3 0 -9 209.978 32.4632^M
3 0 -8 2055.29 56.0863^M
3 0 -7 38.4487 19.0599^M
3 0 -6 8447.46 162.855^M
3 0 -5 107.468 11.8189^M
3 0 5 2185.04 47.0098^M
3 0 6 535.486 26.9026^M
The mtzdumped file of the mtz file from dtrek2mtz:
2 62 1 161.76 29.24
2 62 2 107.02 34.70
2 62 3 193.46 32.83
2 62 4 80.81 23.92
2 62 5 93.21 50.41
-3 0 32 ? ?
-3 0 31 ? ?
-3 0 30 ? ?
-3 0 29 ? ?
-3 0 28 ? ?
-3 0 27 ? ?
-3 0 26 ? ?
-3 0 25 ? ?
-3 0 24 ? ?
-3 0 23 ? ?
-3 0 22 ? ?
-3 0 21 ? ?
-3 0 20 ? ?
-3 0 19 ? ?
-3 0 18 ? ?
-3 0 17 ? ?
-3 0 16 ? ?
-3 0 15 ? ?
-3 0 14 ? ?
-3 0 13 ? ?
-3 0 12 ? ?
-3 0 11 ? ?
-3 0 10 ? ?
-3 0 9 ? ?
-3 0 8 ? ?
-3 0 7 ? ?
-3 0 6 ? ?
-3 0 5 ? ?
3 0 5 2185.04 47.01
3 0 6 535.49 26.90
"David J. Schuller" wrote:
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.ccp4.ac.uk ***
>
> On Wed, 17 Jul 2002, [gb2312] Àî ÁÖÉ wrote:
>
> > > >S/R LECTAB < RESOLUTION MISTMACH:*********** 4.000
>
> you say you changed the resolution several times. did you always keep the
> resolution the same for the model and the target? in the ROTING script I
> am looking at, resolution appears 3 times, in a GENERATE line, a CLMN
> CRYSTAL line and a CLMN MODEL line, and i think they all have to be the
> same resolution.
>
> cheers,
> =======================================================================
> Life is a struggle, not against sin, not against the Money Power, not
> against the malicious animal magnetism, but against hydrogen ions.
> - H.L. Mencken
> =======================================================================
> David J. Schuller
> modern man in a post-modern world
> MacCHESS, Cornell University
> djs63@cornell.edu