[sharp-discuss] Sharp Error -log file
Arulandu, Arockiasamy
sam001@neo.tamu.edu
Wed, 4 Feb 2004 18:58:02 -0000
Dear Clemens
here is the log file with the error message. wish that helps.
sam
>>>>>>>>>
[sam@xtallo ~]$ cat eden-unique.log
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1###############################################################
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### CCP4 4.2: MTZDUMP version 4.2 : 06/08/02##
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User: Run date: 2/ 4/04 Run time:10:37:29
Please reference: Collaborative Computational Project, Number 4. 1994.
"The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
as well as any specific reference in the program write-up.
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List reflection: 0
(Q)QOPEN: file opened on unit 1 Status: READONLY
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Logical Name: HKLIN Filename: eden.mtz
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* Title:
.
* Number of Columns = 25
* Number of Reflections = 18176
* Missing value set to NaN in input mtz file
* There is no History information in this MTZ file
* Column Labels :
H K L NUMORB FB PHIB FOM HX HY FH PHIH FP SIGFP HLA HLB HLC HLD HL0 Fcent
PHIcent FOMcent Fmap PHImap FHref PHIHref
* Column Types :
H H H I F P W R R F P F Q A A A A R F P W F P F P
* Cell Dimensions :
66.8340 66.8340 166.7070 90.0000 90.0000 120.0000
* Resolution Range :
0.00030 0.27699 ( 57.735 - 1.900 A )
* There is no sort order recorded in the MTZ header
* Space group = P6522 (number 179)
OVERALL FILE STATISTICS for resolution range 0.000 - 0.277
=======================
Col Sort Min Max Num % Mean Mean Resolution Type Column
num order Missing complete abs. Low High label
1 ASC 0 30 0 100.00 14.2 14.2 57.74 1.90 H H
2 NONE 0 17 0 100.00 5.1 5.1 57.74 1.90 H K
3 NONE 0 87 0 100.00 33.0 33.0 57.74 1.90 H L
4 NONE 2.0 24.0 0 100.00 21.65 21.65 57.74 1.90 I NUMORB
5 NONE 0.0 2402.5 95 99.48 156.20 156.20 32.77 1.90 F FB
6 NONE -180.0 180.0 95 99.48 5.22 89.77 32.77 1.90 P PHIB
7 NONE 0.000 1.000 95 99.48 0.639 0.639 32.77 1.90 W FOM
8 NONE -881.1 782.6 95 99.48 -0.12 47.88 32.77 1.90 R HX
9 NONE-1040.5 964.7 95 99.48 -0.02 46.00 32.77 1.90 R HY
10 NONE 0.0 1113.9 95 99.48 74.71 74.71 32.77 1.90 F FH
11 NONE -180.0 180.0 95 99.48 -5.85 89.80 32.77 1.90 P PHIH
12 NONE 0.1 2554.9 95 99.48 198.41 198.41 32.77 1.90 F FP
13 NONE 1.7 38.4 95 99.48 5.53 5.53 32.77 1.90 Q SIGFP
14 NONE-1615.3 2402.0 95 99.48 -0.36 16.25 32.77 1.90 A HLA
15 NONE-3096.2 931.6 95 99.48 -0.47 15.59 32.77 1.90 A HLB
16 NONE -686.8 403.8 95 99.48 -0.37 6.66 32.77 1.90 A HLC
17 NONE -563.3 1047.4 95 99.48 -0.05 6.34 32.77 1.90 A HLD
18 NONE 0.7 897.1 95 99.48 21.69 21.69 32.77 1.90 R HL0
19 NONE 0.0 2811.8 95 99.48 152.20 152.20 32.77 1.90 F Fcent
20 NONE -179.9 180.0 95 99.48 6.18 90.07 32.77 1.90 P
PHIcent
21 NONE 0.000 1.000 95 99.48 0.671 0.671 32.77 1.90 W
FOMcent
22 NONE 0.0 2405.6 95 99.48 156.55 156.55 32.77 1.90 F Fmap
23 NONE -180.0 180.0 95 99.48 5.17 89.81 32.77 1.90 P PHImap
24 NONE 0.0 1122.5 95 99.48 75.90 75.90 32.77 1.90 F FHref
25 NONE -180.0 180.0 95 99.48 -6.05 90.53 32.77 1.90 P
PHIHref
No. of reflections used in FILE STATISTICS 18176
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MTZDUMP: NO REFLECTIONS LISTED
Times: User: 0.3s System: 0.0s Elapsed: 0:00
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1###############################################################
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### CCP4 4.2: UNIQUE version 4.2 : 09/08/02##
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User: Run date: 2/ 4/04 Run time:10:37:29
Please reference: Collaborative Computational Project, Number 4. 1994.
"The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
as well as any specific reference in the program write-up.
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Data line--- CELL 66.8340 66.8340 166.7070 90.0000 90.0000 120.0000
Data line--- SYMM 179
FORMATTED OLD file opened on unit 24
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Logical name: SYMOP, Filename: /yusr/pomp/sharp3/database/symop
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Data line--- RESO 1.900
Data line--- LABO F=FUNI SIGF=SIGFUNI
Data line--- END
Reciprocal space symmetry
Space group: P6522 (179) Point group: 622 Laue group: 6/mmm
Asymmetric unit: [6/mmm] hkl:h>=0, k>=0, l>=0 with h>=k
Original indices for reflection hkl with symmetry number ISYM
Bijvoet positive
ISYM ISYM ISYM ISYM
ISYM 1 +h,+k,+l 7 -h,-k,+l 13 +k,+h,-l 19 -k,-h,-l
ISYM 3 -h-k,+h,+l 9 +h+k,-h,+l 15 +h,-h-k,-l 21 -h,+h+k,-l
ISYM 5 +k,-h-k,+l 11 -k,+h+k,+l 17 -h-k,+k,-l 23 +h+k,-k,-l
Bijvoet negative
ISYM ISYM ISYM ISYM
ISYM 2 -h,-k,-l 8 +h,+k,-l 14 -k,-h,+l 20 +k,+h,+l
ISYM 4 +h+k,-h,-l 10 -h-k,+h,-l 16 -h,+h+k,+l 22 +h,-h-k,+l
ISYM 6 -k,+h+k,-l 12 +k,-h-k,-l 18 +h+k,-k,+l 24 -h-k,+k,+l
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Last system error message:
No such file or directory
UNIQUE: CCP4_QOPEN: can't open /verytemp/ztmp/42317149.mtz
Times: User: 0.1s System: 0.0s Elapsed: 0:01
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"Arulandu, Arockiasamy" <sam001@neo.tamu.edu> said:
>
> Dear Clemens,
>
> Your earlier suggestion helped me pass the CAD error and now i am stuck in the
> further step, running Autosharp. Runs o.k up to Density Mopdification and
> stops at DM step with the error message " unable to uniqueify file eden.mtz!".
>
> I very much appreciate if you have any inputs.
>
> thank you
> sam
>
>
--