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call',/)**CCPOPN ERROR** Invalid parameters in callDATAPRINTERTERMCCP4_OPENUNKNOWNNL:nl:/dev/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEKEEPWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2CBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARY(Z8.8)(I5.5)Non standard logical name Too many logical namesundeflibprtbesdicCLIBDCLIBD:CLIBD not defined/.scrscrCCP4_SCRCCP4_SCR:CCP4_SCR not definedinCannot find file Cannot create environment variable Cannot create logical name BYTESUSERLOGNAMECUNLINK: Can't unlinkCCPALC: can't allocate memory;w+r+rMemory allocation failedCCP4_USTENV: Memory allocation failedCCP4_QOPEN: can't open CCP4_QOPEN: error unlinking CCP4_QOPEN: fseek failed onNATIVEMTZCONVERT_FROMBEIEEELEIEEEVAXCONVEXNATIVECCP4_QRARCH: seek failed on CCP4_QRARCH: can't read machine stamp in CCP4_QWARCH: seek failed on CCP4_QWARCH: can't write machine stamp to CCP4_QCLOSE: qopen not yet calledCCP4_QCLOSE: failed on CCP4_QMODE: qopen not yet calledCCP4_QMODE: bad modeCCP4_QREAD: qopen not yet calledCCP4_QREAD: seek error on file CCP4_QREAD: i/o error on CCP4_QREAD: bad file real type in conversionCCP4_QREAD: bad file integer type in conversionCCP4_QREAD: bad native real type in conversionCCP4_QREAD: Bad modeCCP4_QREADC: qopen not yet calledCCP4_QREADC: seek error on file CCP4_QREAD:C i/o error on CCP4_QWRITE: qopen not yet calledCCP4_QWRITE: seek failed on CCP4_QWRITE: i/o error (may be out of disc space): CCP4_QWRITC: qopen not yet calledCCP4_QWRITC: seek failed onCCP4_QWRITC: i/o error (may be out of disc space): CCP4_QSEEK: qopen not yet calledCCP4_QSEEK failed -- maybe corrupt file: CCP4_REWIND: qopen not yet calledCCP4_REWIND failed -- maybe corrupt file: CCP4_QBACK: qopen not yet calledCCP4_QBACK failed on CCP4_QSKIP: qopen not yet calledCCP4_QSKIP failed on CCP4_QINQ: qopen not yet calledCCP4_QINQ: seek failed on CCP4_QLOCATE: qopen not yet calledCCP4_ISNAN: bad nativeFT%oFailure in ccp4mallocFailure in ccp4reallocFailure in ccp4callocFloating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtstartiosfeendfilestartintinwriterecendrewinds_catread startwrite startlist output startNOYESZERONULLr+wwmalloc failureopenfort.%ldno spacesdfuSTOP statement executed getenv_nmLbuf overflownon-positive record numbercan't append to file'new' file existscan't write filecan't read filesubscript out of boundssubstring out of boundsinvalid array sectionsubscript for scalar variablevariable count incorrectno end recordvariable not in namelistbad namelist namebad variable typebad logical input fieldread unexpected characterout of free spaceincomprehensible list inputtruncation failed in endfileoff end of recordunit not connectedcan't stat filenull file namecan't backspace filesequential io not alloweddirect io not allowedunformatted io not allowedformatted io not allowedillegal unit numbererror in format%s: illegal error number %d %s: end of file %s: %s apparent state: unit %d named %s (unnamed) apparent state: internal I/O last format: %s externalinternalformattedunformattedsequentialdirectreadingwritinglately %s %s %s %s IO%s 0123456789ABCDEFe%ldrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d malloc(%u) failure in %s bad repetition countinvalid integerexponent fieldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalundelimited character stringlist iostlerliolist in%.9Gunknown type in lio%#.*E%+.2d+00%#.*f?95<{O<>3AB@F,ME.eB.?m'?|=@z? ܥL@?$@ _??&h /.0.  ATLSIN XYZIN XYZOUT (1//12x,66a/12x,*,64x,*/12x,*,13x, T L S A N L ,13x,*/12x,*,64x,*/12x,*,13x, VERSION 3.8 Jul 17 97 ,13x,*/12x,*,13x, HOWLIN BUTLER HARRIS MOSS ,13x,*/12x,*,13x, DRIESSEN TICKLE ,13x,*/12x,*,64x,*/12x,*,64x,*/12x,*,13x, LABORATORY OF MOLECULAR BIOLOGY ,13x,*/12x,*,13x, & ,13x,*/12x,*,13x, IMPERIAL CANCER RESEARCH FUND ,13x,*/12x,*,13x, UNIT OF ,13x,*/12x,*,13x, STRUCTURAL MOLECULAR BIOLOGY, ,13x,*/12x,*,13x, DEPARTMENT OF CRYSTALLOGRAPHY, ,13x,*/12x,*,13x, BIRKBECK COLLEGE, ,13x,*/12x,*,13x, MALET STREET, ,13x,*/12x,*,13x, LONDON WC1E 7HX, ,13x,*/12x,*,13x, UNITED KINGDOM. ,13x,*/12x,*,13x, (+44) 171 631 6854 ,13x,*)(12x,*,64x,*/12x,66a//)(/ INPUT KEYWORD: ,$)( XYZIN : ,a/ XYZOUT : ,a/)(/, *** PROGRAM SETTINGS *** ,/)(5x, Anisotropic tensor analysis not included)(5x, Anisotropic tensor analysis included)(5x, Assuming that XYZIN contains B factors)(5x, Assuming that XYZIN contains isotropic U factors)(5x, Assuming that B/U factors from XYZIN do NOT ,contain contribution from TLS tensors)(5x, Assuming that B/U factors from XYZIN already ,contain contribution from TLS tensors)(5x, B factors in XYZOUT will contain contributions ,from TLS parameters and individual B factors)(5x, B factors in XYZOUT will not contain contribution ,from TLS parameters)(5x, B factors in XYZOUT will contain contribution ,from TLS parameters only)(//1x,72a)(/ NUMBER OF ATOMS:,i7/1x,a,9x,a,10x,a,2x,a)(1x,i4,3x,a,2x,a,2x,a)(/ TLS GROUP TYPE,i4,2x,a)(// MEAN EQUIVALENT TRANSLATIONS, LIBRATIONS, USING CENTRE OF REACTION AND U-VALUES//)(/ TLS GROUP TYPE,i4,2x,a// MEAN TRANSLATION (TRACE/3) (A^2),f10.3/ MEAN LIBRATION (TRACE/3) (DEG^2),f10.3/ MEAN EQUIVALENT U (TRACE/3) (A^2),f10.3/)(/ *** ERROR IN READING KEYWORD RECORDS/ KEYWORD ,a, NOT RECOGNISED - RUN TERMINATED/ For allowed keywords, see distributed documentation. )abe~e&' 'ee f`fff ggg`hhi@'@'@'`' iOifiiijj'''(/ *** MAXIMUM NO. OF TLS GROUPS EXCEEDED; CHANGE, MAXGP)(/ *** LIMIT ON NUMBER OF RANGES EXCEEDED,, CHANGE MAXGP:/1x,a)m n n,,, n,,,-'(6x,a,1x,a,1x,a,1x,a,3x,3f8.0,6x,f6.2)(/*** WARNING: Read only,i2, items on TLS record,i5/ Expected,i2,, the record was padded with zeros.)(/ *** ERROR: TLS RANGE ATOM NOT FOUND IN INPUT, COORDINATE FILE// ATOM ID : -,a,-/ BEGINNING OR END (1/2):,i6/ RANGE INDEX :,i6/ TLS GROUP :,i6// - RUN TERMINATED)(/ *** ERROR: TLS ATOM SELECTION NOT FOUND IN INPUT, COORDINATE FILE// ATOM SELECTION :,a/ RANGE INDEX :,i6/ TLS GROUP :,i6// - RUN TERMINATED)(//1x,i5, RECORDS PROCESSED/1x,i5, TLS GROUPS)(/ *** ERROR ON READING THE COORDINATES AT RECORD,i6, - RUN TERMINATED)(/ *** PREMATURE END-OF-FILE IN COORDINATES AT ,RECORD,i6, - RUN TERMINATED)`oPoooo' pq1 1qr`r(a)(/ *** ERROR ON READING THE COORDINATES AT RECORD,i6, - RUN TERMINATED)`5s5`5s5ss(// ORIGIN OF COORDINATE SYSTEM FOR TLS CALCULATIONS , (A) :,3f8.3)(/ INPUT TENSOR MATRICES WRT ORTHOGONAL AXES, USING ORIGIN OF CALCULATIONS,/10x,T TENSOR,18x,L TENSOR,18x,S TENSOR,/10x,(A^2) ,18x,(DEG^2) ,18x,(A DEG))(1x,3(3f8.3,2x))(/ TRACE OF TRANSLATION TENSOR ,f8.3/ ASYMMETRY OF SCREW ROTATION TENSOR / MEAN UPPER/LOWER OFF-DIAGONAL ELEMENTS ,f8.3)(/ MEAN TRANSLATION (TRACE/3) ,f8.3/ MEAN LIBRATION (TRACE/3) ,f8.3)(// DETERMINANT OF EIGENVECTORS OF LIBRATION MATRIX ,f8.4, NOT EQUAL TO +1)(// TENSOR MATRICES WRT LIBRATION AXES, USING ORIGIN OF CALCULATIONS/10x,T^ TENSOR,17x,L^ TENSOR,17x,S^ TENSOR,/10x,(A^2) ,17x,(DEG^2) ,17x,(A DEG))(// NO SIGNIFICANT LIBRATION)(// ORIGIN SHIFT RHO(O)^ TO CENTRE WRT LIBRATION AXES ,(A) : ,3f8.3)( ORIGIN SHIFT TO CENTRE WRT ORTHOGONAL AXES ,(A) : ,3f8.3)( TLS CENTRE OF REACTION WRT ORTHOGONAL AXES ,(A) : ,3f8.3)(// TENSOR MATRICES WRT LIBRATION AXES, USING CENTRE OF REACTION/10x,T'^ TENSOR,16x,L'^ TENSOR,16x,S'^ TENSOR,/10x,(A^2) ,15x,(DEG^2) ,15x,(A DEG))(// TENSOR MATRICES WRT ORTHOGONAL AXES, USING CENTRE OF REACTION/10x,T' TENSOR,17x,L' TENSOR,17x,S' TENSOR,/10x,(A^2) ,16x,(DEG^2) ,16x,(A DEG))(// SCREW ROTATION AXIS,t28,DISPLACEMENT (A),t54,DISTANCE FROM GROUP ORIGIN (A)/t28, X^ Y^ Z^ )(1x,i3,23x,3f8.3,4x,f8.3)(// SCREW ROTATION AXIS,t28, ABSOLUTE POSITION (A),t54, PITCH (A)/t28, X Y Z )(1x,i3,23x,3f8.3,4x,f8.3)(// REDUCED T TENSOR WRT ORTHOGONAL AXES,/10x,(A^2) )(/ TRACE OF REDUCED TRANSLATION TENSOR ,f8.3)(// FOR TLS TENSOR USING CENTRE OF REACTION: )(//1x,AXES OF RIGID BODY WRT TO,t36,RMS DISPLACEMENT,t56,ANGLE RIGID BODY AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,FROM PLANE NOR-,t56,ORTHOGONAL AXES (DEG)/1x,t36,MAL TO AXIS (A),t56, X Y Z)(1x,3f8.3,10x,f8.3,12x,3f8.2)(//1x,AXES OF LIBRATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE LIBRATION AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,DISPLACEMENT,t56,ORTHOGONAL AXES (DEG)/t36,ABOUT AXES (DEG^2),t56, X Y Z)(/ MEAN LIBRATION (TRACE/3),10x,f8.3)(//1x,AXES OF TRANSLATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE TRANSLATION AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,DISPLACEMENT,t56,ORTHOGONAL AXES (DEG)/t36,ABOUT AXES (A^2),t56, X Y Z)(/ MEAN TRANSLATION (TRACE/3),8x,f8.3)(//1x,AXES OF REDUCED TRANS. WRT TO,t36,MEAN-SQUARE,t56,ANGLE TRANSLATION AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,DISPLACEMENT,t56,ORTHOGONAL AXES (DEG)/t36,ABOUT AXES (A^2),t56, X^ Y^ Z^)(//1x,AXES OF SCREW ROTATION WRT TO,t36,MEAN,t56,ANGLE SCREW ROTATION AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,DISPLACEMENT,t56,ORTHOGONAL AXES (DEG)/t36,ABOUT AXES (A*DEG),t56, X Y Z)(/ MEAN SCREW ROTATION (TRACE/3),5x,f8.3)(//1x,AXES OF TRANSLATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE TRANSLATION AXES MAKE TO/1x,LIBRATION AXES (IN ROWS),t36,DISPLACEMENT,t56,LIBRATION AXES (DEG)/t36,ABOUT AXES (A^2),t56, X^ Y^ Z^)(//1x,AXES OF SCREW ROTATION WRT TO,t36,MEAN,t56,ANGLE SCREW ROTATION AXES MAKE TO/1x,LIBRATION AXES (IN ROWS),t36,DISPLACEMENT,t56,LIBRATION AXES (DEG)/t36,ABOUT AXES (A*DEG),t56, X^ Y^ Z^)(//1x,AXES OF LIBRATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE LIBRATION AXES MAKE TO/1x,RIGID BODY AXES (IN ROWS),t36,DISPLACEMENT,t56,RIGID BODY AXES (DEG)/t36,ABOUT AXES (DEG^2),t56, XR YR ZR)(//1x,AXES OF TRANSLATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE TRANSLATION AXES MAKE TO/1x,RIGID BODY AXES (IN ROWS),t36,DISPLACEMENT,t56,RIGID BODY AXES (DEG)/t36,ABOUT AXES (A^2),t56, XR YR ZR)(//1x,AXES OF SCREW ROTATION WRT TO,t36,MEAN,t56,ANGLE SCREW ROTATION AXES MAKE TO/1x,RIGID BODY AXES (IN ROWS),t36,DISPLACEMENT,t56,RIGID BODY AXES (DEG)/t36,ABOUT AXES (A*DEG),t56, XR YR ZR)(//1x,AXIS OF NORMAL TO TLS PLANE,t36,LIBRATION PERPEN-,t56,ANGLE EIGENVECTORS OF LIBRATION /1x,WRT ORTHOGONAL AXES,t36,DICULAR TO TLS,t56,MATRIX MAKE WITH NORMAL (DEG)/t36,PLANE (DEG^2))(1x,3f8.3,10x,f8.3,12x,3f8.2)(/1x,t36,TRANSLATION PARA-,t56,ANGLE EIGENVECTORS OF TRANSLATION/t36,LEL TO TLS,t56,MATRIX MAKE WITH NORMAL (DEG)/t36,PLANE (A^2))(1x,24x,10x,f8.3,12x,3f8.2)(/)t uuuvw`wu x@xxy`yuu zuuzU{{{ |u`|||}~}~ }@} }@} }}}}k-I(/,! ,a,/, object inline;)(4x,L 2)(4x,Q,/)   6 6 ˌ(1x,a, ANISOU (A^2) : ,6f7.3,4x,(EQUIV U,f8.3,a,), NOT POSITIVE DEFINITE)(1x,a, ANISOU (A^2) : ,6f7.3,2x,(EQUIV U,f8.3,a,))6@(1x,AXES OF VIBRATION WRT TO,t36,MEAN-SQUARE,t56,ANGLE VIBRATION AXES MAKE TO/1x,ORTHOGONAL AXES (IN ROWS),t36,DISPLACEMENT,t56,ORTHOGONAL AXES (DEG)/t36,ABOUT AXES (A^2),t56, X Y Z/t36,ELLIPTICITY/t36,(LARGEST/SMALLEST))(1x,3f8.3,10x,f8.3,12x,3f8.3)(1x,24x,10x,f8.3) !?(////)( FOR CA-CB BOND :)( LIBRATION CORRECTION (A),f9.3)( MEAN SQUARE DISPLACEMENT AMPLITUDE (A^2),f9.3)( FOR CB-CG BOND :)( FOR CG-CD BOND :)4J7501234567895`7`7UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU  environ.def default.def (a)`85`@95`95abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZUNKNOWNUNKNOWNOLD NEW OLD UNKNOWN( Open failed: Unit:,i4,, File: ,a, (logical: ,a,))( **CCPOPN ERROR** ,a,3x,a, file open failure on unit ,i3,/ Logical name: ,a,, ,File name: ,a/1x,a/)(a,3x,a, file opened on unit ,i3) >@()x()()()()()` (/,/,/,/,1##########################################################,#####,/, ##########################################################,#####,/, ##########################################################,#####,/, ### CCP4 ,a3,: ,a17,2x,version ,a,: ,a8,##,/, ##########################################################,#####,/, User: ,a, Run date: ,a8, Run time:,a,/,/,/, 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.,/,/)( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2)5AAA( ,a,: ,a)t  C  C(
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