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### CCP4 PROGRAM SUITE: Phaser 2.5.7 ###
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User: jmht
Run time: Tue May 26 21:09:51 2015
Version: 2.5.7
Release Date: Wed Jan 14 13:55:29 2015
If you use this software please cite:
$TEXT:Reference1: $$ $$
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF
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*** Phaser Module: PREPROCESSOR 2.5.7 ***
*************************************************************************************
ENTER KEYWORD INPUT FROM FILE OR FROM STANDARD INPUT
$TEXT:Script: $$ Baubles Markup $$
MODE MR_AUTO
HKLIN &
/opt/ample-dev1/examples/ronan_ideal_helix/AMPLE_1/MRBUMP/search_polyala10_mrbump/i &
nput/dihipeghrlr_scaled.mtz
LABIN F=F_06_27_02:18:13:20 SIGF=SIGF_06_27_02:18:13:20
COMPosition PROTein MW 13418.055 NUM 17
ENSEmble autoMR PDBFile &
/opt/ample-dev1/examples/ronan_ideal_helix/AMPLE_1/MRBUMP/search_polyala10_mrbump/d &
ata/loc0_ALL_polyala10/unmod/MODEL_UNMOD_loc0_ALL_polyala10.pdb RMS 0.100
SEARCH ENSEmble autoMR NUM 17
XYZOUT ON
JOBS 1
PACK CUTOFF 85
SGALTERNATIVE SELECT NONE
ROOT phaser_loc0_ALL_polyala10_UNMOD
KILL TIME 360
END
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CPU Time: 0 days 0 hrs 0 mins 0.00 secs ( 0.00 secs)
Finished: Tue May 26 21:09:51 2015
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*** Phaser Module: READ DATA FROM MTZ FILE 2.5.7 ***
*************************************************************************************
Data read from mtz file:
/opt/ample-dev1/examples/ronan_ideal_helix/AMPLE_1/MRBUMP/search_polyala10_mrbump/
input/dihipeghrlr_scaled.mtz
Space-Group Name (Hall Symbol): P 1 21 1 ( P 2yb)
Space-Group Number: 4
Unit Cell: 37.75 77.92 56.38 90.00 102.07 90.00
Column Labels Selected: F_06_27_02:18:13:20 SIGF_06_27_02:18:13:20
Resolution on Mtz file: 1.20 55.13
Resolution Selected: 1.20 45.00
Number of Reflections in Selected Resolution Range: 93708
CPU Time: 0 days 0 hrs 0 mins 0.05 secs ( 0.05 secs)
Finished: Tue May 26 21:09:51 2015
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*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT 2.5.7 ***
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Steps:
Cell Content Analysis
Anisotropy correction
Translational NCS correction
Rotation Function
Translation Function
Packing
Refinement
Final Refinement (if data higher resolution than search resolution)
Number of search ensembles = 17
Search Method: FAST
Input Search Order:
#1: Ensemble autoMR
#2: Ensemble autoMR
#3: Ensemble autoMR
#4: Ensemble autoMR
#5: Ensemble autoMR
#6: Ensemble autoMR
#7: Ensemble autoMR
#8: Ensemble autoMR
#9: Ensemble autoMR
#10: Ensemble autoMR
#11: Ensemble autoMR
#12: Ensemble autoMR
#13: Ensemble autoMR
#14: Ensemble autoMR
#15: Ensemble autoMR
#16: Ensemble autoMR
#17: Ensemble autoMR
Automatic (best predicted) search order WILL be used
One test spacegroup
P 1 21 1
CPU Time: 0 days 0 hrs 0 mins 0.10 secs ( 0.10 secs)
Finished: Tue May 26 21:09:51 2015
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*** Phaser Module: CELL CONTENT ANALYSIS 2.5.7 ***
*************************************************************************************
Space-Group Name (Hall Symbol): P 1 21 1 ( P 2yb)
Space-Group Number: 4
Unit Cell: 37.75 77.92 56.38 90.00 102.07 90.00
MW of "average" protein to which Matthews applies: 228107
$TEXT:Warning: $$ Baubles Markup $$
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FATAL RUNTIME ERROR: The composition you have entered has a protein/nucleic acid
content of 346.088%, which is impossible. DECREASE your composition.
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$$
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EXIT STATUS: FAILURE
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CPU Time: 0 days 0 hrs 0 mins 0.97 secs ( 0.97 secs)
Finished: Tue May 26 21:09:52 2015