I cant answer - but this version certainly generates anisotropic scales..
We have ccp4.6.0.2 installed)
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### CCP4 6.0: Refmac_5.3.0037 version 5.3.0037 : 03/29/06##
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User: eleanor Run date: 18/ 9/2007 Run time: 09:34:20
.....
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Overall : scale = 0.480, B = -7.297
Partial structure 1: scale = 0.383, B = 84.682
Overall anisotropic scale factors
B11 = -1.37 B22 = -1.37 B33 = 2.06 B12 = -0.69 B13 = 0.00 B23 = 0.00
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You havent got a cubic spacegroup have you?
Eleanor
Alejandro Buschiazzo wrote:
> Hello,
> I wonder if there was any direct answer to the question that Lari made
> a couple of days ago.
> Sorry if I missed it, but I believe there wasn't any response to the
> ccp4bb...
>
> thanks
>
> Alejandro
>
>
> Lari Lehtio wrote:
>> Dear All, I just came back from the beam line and started to
>> continue my work on a structure that I solved while collecting other
>> data. I noticed that my R-factors were a lot higher at home lab
>> although I was using the exact same input files. I then noticed
>> that the version was different: The one giving lower R-factors
>> was Refmac_5.2.0019 version 5.2.0019 : 06/09/05 And the one
>> giving higher: Refmac_5.3.0032 version 5.3.0032 : 02/16/06 I
>> happened to have the older version also in my home pc, so I tried
>> again and indeed, 5.2.0019 gives lower R-factors. The input
>> command is identical, but when I "diffed" the pdb-files, I noticed
>> that anisotropic scale is missing in the newer files. Did I make a
>> mistake? How can I turn it back on.
>> Below is the diff output and the command used for refmac.
>> Thank you in advance,
>> ~L~
>> < REMARK 3 PROGRAM : REFMAC 5.2.0019
>>> REMARK 3 PROGRAM : REFMAC 5.3.0032
>> < REMARK 3 R VALUE (WORKING + TEST SET) : 0.21101 < REMARK
>> 3 R VALUE (WORKING SET) : 0.20867 < REMARK 3 FREE R
>> VALUE : 0.25559
>>> REMARK 3 R VALUE (WORKING + TEST SET) : 0.23077 REMARK 3
>>> R VALUE (WORKING SET) : 0.22807 REMARK 3 FREE R
>>> VALUE : 0.28228
>> < REMARK 3 BIN R VALUE (WORKING SET) : 0.240
>>> REMARK 3 BIN R VALUE (WORKING SET) : 0.262
>> < REMARK 3 BIN FREE R VALUE : 0.288
>>> REMARK 3 BIN FREE R VALUE : 0.343
>> < REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.271
>>> REMARK 3 MEAN B VALUE (OVERALL, A**2) : 29.941
>> < REMARK 3 B11 (A**2) : 2.35 < REMARK 3 B22 (A**2) :
>> -1.99 < REMARK 3 B33 (A**2) : 0.32
>>> REMARK 3 B11 (A**2) : 0.00 REMARK 3 B22 (A**2) :
>>> 0.00 REMARK 3 B33 (A**2) : 0.00
>> < REMARK 3 B13 (A**2) : 0.90
>>> REMARK 3 B13 (A**2) : 0.00
>>
>> _____________________________________________________________________________________
>> make check NONE make - hydrogen YES - hout NO - peptide
>> NO - cispeptide YES - ssbridge YES - symmetry YES -
>> sugar YES - connectivity NO - link NO refi - type REST -
>> resi MLKF - meth CGMAT - bref ISOT ncyc 10 scal -
>> type SIMP - reso 2.100 19.976 - LSSC - ANISO - EXPE
>> solvent YES - VDWProb 1.4 - IONProb 0.8 - RSHRink 0.8
>> weight - MATRIX 0.1 monitor MEDIUM - torsion 10.0 -
>> distance 10.0 - angle 10.0 - plane 10.0 - chiral 10.0 -
>> bfactor 10.0 - bsphere 10.0 - rbond 10.0 - ncsr 10.0
>> labin FP=FP SIGFP=SIGFP - FREE=FreeRflag labout FC=FC FWT=FWT
>> PHIC=PHIC PHWT=PHWT DELFWT=DELFWT PHDELWT=PHDELWT FOM=FOM PNAME
>> unknown DNAME unknown130907 RSIZE 80 END
>> _______________________________________ Lari Lehtiö Structural
>> Genomics Consortium Medical Biochemistry & Biophysics
>> Dept. Karolinska Institute Stockholm, Sweden
>> _______________________________________
>>
>
>
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