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UEщ}t2E8t~ ojPjoko1]UWVS[}~EEED}}E؉EE+EE @0fEMM}1u։0EU u1uM}uE +UȋMe[^_UVS[EE}Eƒ:t.‹E9}‹E9~ƒ:M}u E]E]EffEuEEE]9E,‹EEffD@uEEEUEU )‰U}}+M } }􍃠j*2փ1ƒ:}‹E}(~E؉EE(EE$EPqPEP hEPE lsec: recompile ccpmskin - ccp4 read errorMSKOUT ccpmapin - Mask section > lsec: recompileINPUTUOHOHDODH20WAT pdbhead - XYZIN error pdbhead - XYZIN has no CRYSTL card (PDBMASK) Error opening file XYZIN peak - unable to peak-search mask peak - mask is too complex for peak countingover - You have a ridiculous number of symm ops! monomer - get Kevin to write some more code monomer - ncs ops do not appear to be a single proper setCCPALC: bad number of argumentsIRDCBCCPALC: bad TYPE: CCPALC: length <=0Message number 00000000Last system error message:: WARNING: $TEXT:Warning: $$ comment $$ $$('CCP4 software suite: library version ', A)(A)('CCP4 software suite: patch level ', A)('Program: ', A)NOHTMLNOSUMMUse: -d filenameUse: -e filename; version Ignoring switch CINCLCINCL:environ path name too longSYS$LOGINHOMESYS$LOGIN:Opening file FREADONLY#!Too many logical names in environ file: =Missing = in environ file: .Bad extension in environ file: default.def path name too longMissing = in defaults file: Processing Command Line ArgumentsUse: ...End of pre-processing stageError reading environ or default file$Date: / /1920ENDNo argument expectedInteger argument expectedReal argument expectedIncorrect number of integer argumentsIncorrect number of real argumentsArgument expected after sub-keywordInteger sub-argument expectedReal sub-argument expectedCharacter sub-argument expectedCELLSYMMRESOLABILABOInvalid keywordInput error (see above)(/,A)(A,/) **FILE DOES NOT EXIST > **MAP FILE HANDLING ERROR**RO WARNING: no architecture information in file -- assuming native. Logical name (A,A,I5,A)SYMOPMSYMLB: Error in format of SYMOP file: MSYGET: No symmetry information for space group number in SYMOP file(/A,I8/) *** Too many or too few symmetry operations: *** Illegal number of symmetry operations ***NEW logical name (80A1) ERROR: in XYZADVANCE file has not been openedCRYSSCALTERATOM (I5)(I4) ERROR: in XYZATOM file has not been opened D KEEP(6I7)(3F8.3,2F6.2) ERROR: in XYZCOORD has not been opened*** Cannot convert to fractional coord. ****** Cannot convert from fract. to ortho. coordinates ***ANISOUCUNLINK: Can't unlinkCCPALC: can't allocate memory ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2CBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARY CCPDPN: illegal status : CCPDPN: illegal type: (Z8.8)(I5.5)Non standard logical name Too many logical namesundef/dev/nullNL:libprtbesdicCLIBDCLIBD:CLIBD not defined/.scrscrCCP4_SCRCCP4_SCR:CCP4_SCR not definedinCannot find file Cannot create environment variable Cannot create logical name ERRWIN*** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ...(' ERROR with label assignments ',A,' and ',A)(' Neither ',A,' nor ',A,' recognised')(' OR maybe ',A,' has been assigned twice ') Error this program has no PROGRAM LABELS **** Warning no argument given for LABIN ERROR Program label assigned twiceInput column assignment does not match program labels **** Error !!!! for LABIN **** **** NOT ENOUGH ARGUMENT PAIRS of type Prog_label = User_label Error this program has no OUPUT LABELS **** Warning no argument given for LABOUTFor This Program Default labels will be used if possibleOutput column assignment does not match program labels **** Error !!!! for LABOUT **** Not enough argument pairs of type Prog_label = User_label(A,I5,A/1X,A) *** WARNING - More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file DataRD_KEY_SELECT: too many argumentsRD_KEY_SELECT: JTOK out of rangeATOMMultiple ATOM/RESidue keywordsRESALLONSCAALL/ONS/CA: invalid specifiersALL/ONS/CA not allowed without RESidueOnly one of CA/ONS/ALL allowedCHAICHAIN only allowed after RESidueOnly one CHAIN allowed per lineChain name should be a single character Missing ATOM or RESIDUE keyword Already read a set of atom/residue limitsTOTO should be followed by a numberTO out of placeUnrecognised subkeywordAtom/residue limits unspecifiedCell a, b and c not given -- ignoredResolution missingCURWIN No symmetry data !!!Warning: symmetry already givenWarning: R switched to H**MODECV: CONVERSION OF BYTE OR INTEGER*2 TO INTEGER UNAVAILABLE**Bad attribute in QOPEN: diskio.dft(A,I4,A) ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST****(1X,A)(A,I4,2F6.1,4(/,4F10.3)) NSYM REAL RECIP ROT**SYMMETRY OPERATOR ERROR**(A,I3,5X,A)(4F6.2)SYMTR3: character array too short(I1,A1)(1X,A1), Symmetry(A4) ERROR: in WREMARK file has not been openedHETAANISTER **FRACTIONAL/ORTHOGONAL MATRICES NOT SET UP** No knowledge of input orthogonalisation(I8)(a,i3,4(/,4f10.3))(a,i4,a,2(/a,4(/,4f10.3)))(6X,3F9.3,3F7.2,1x,a15)(1X,4F8.3,5X,4F8.3)(10X,3F10.6,5X,F10.6)(A,F15.4)(A,I3)(A,I3,A)(A,A) *** ERROR: too many coordinate files open. *** ERROR: : does not existCIFPDBREMARK 290555 remark 290 Symmetry operators from symop.lib and remark 290 inputdo not match: Remark 290 symop.lib Problem with symmetry match No Space group given on PDB CRYST1 line Changing "rhombhedral" to "hexagonal" Changing "hexagonal" to "rhombhedral" MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE RF RO Unit cell volume generated from SCALEi cards Percentage error is Error in rwbrook.f - disagreement between cell and PDB file No unit cell volume currently stored MATRICES DERIVED FROM SCALE CARDS IN COORDINATE FILE RF RO Warning - No ORTH code ORTHOGONALISATION CODE: TRANSLATIONS ALSO SPECIFIED NO CRYST CARDS READ FROM NO SCALE CARDS READ FROM 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 ccp4callocUSERLOGNAMECCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callDATAPRINTERTERMCCP4_OPENUNKNOWNnl:UNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ;(A,I4) Illegal number in field Real number expected at end of line(1X,A,A,A)(A,I5)(A,I4,A,I4,A)(A,A,A,A) 1MSYMLB3: the supplied spacegroup name "" is an integerMSYMLB3: resetting spacegroup number to MSYMLB3: Error in format of SYMOP file: PABCIHRCUPGHEMSYMLB3: Problem with sym op - determinant ne -+1 space group numberMSYMLB3: Spacegroup returned as zero - the supplied spacegroup name was not found in the SYMOP file Symm operators and have a problem.MSYMLB3: No symmetry information for space group MSYMLB3: Symmetry operators are not a closed group Something wrong for space group number *** Error in CCPTOI, bad convertion ***(1X,A,I2)(1X,A,I2,A,A) (Q)QOPEN: bad mode: (Q)QOPEN status changed from NEW to UNKNOWN for (Q)QOPEN NEW file already exists: (Q)QOPEN failed - no streams left(Q)QOPEN Logical name (Q)QOPEN failed - File name: (Q)QOPEN: file opened on unit Status: Logical Name: Filename: BYTES(1X,A,I3,A,I3)(A,4X,I4)(A,4X)(A,4X,I3)(4(2X,F8.3))(I4,A) Reciprocal space symmetry operator same as PG23PG432PG422PG321PG622PG312PG222PG2APG2PG1PG2CPG3PG4PG6 Number of primitive symmetry operators Number of symmetry operators The point group for these symmetry operators is Resorted symmetry( all primitives first) **** ICENTR gives axis of centering ***** No centering (P spacegroups) Centering around a-axis (A spacegroups) Centering around b-axis (B spacegroups) Centering around c-axis (C spacegroups) Centering on all faces (F spacegroups) Body centering (I spacegroups) Rhombohedral centering (R spacegroups with hexagonal axes) (NOTE: R-spacegroups with rhombohedral axes have ICENTR = 0 !) **** Screw axes are: ***** fold screw axis along A fold screw axis along B fold screw axis along C *** KLASS: a crystal class name used in MDF files *** TRICLINIC 1_BAR (PG1) sgs 1 MONOCLINIC I 2/M (PG2) B-UNIQUE sgs 3 - 5 ORTHORHOMBIC MMM (PG222) sgs 16 - 24 TETRAGONAL I 4/M (PG4) sgs 75 - 80 TETRAGONAL II 4/MMM (PG422) sgs 89 - 98 TRIGONAL I 3_BAR (PG3)HEXAGONAL AXES sgs 143-146 TRIGONAL II 3_BAR (??) RHOMBOHEDRAL AXES sgs 146 TRIGONAL III 3_BAR1M (PG312) sgs 149,151,153 TRIGONAL IV 3_BARM1 (PG321)HEXAGONAL AXES sgs 150,152,154,155 TRIGONAL V 3_BARM1 (??)RHOMBOHEDRAL AXES sgs 155 HEXAGONAL I 6/M (PG6) sgs 168 - 173 HEXAGONAL II 6/MMM (PG622) sgs 177 - 182 CUBIC I M3_BAR (PG23) sgs 195 - 199 CUBIC II M3_BARM (PG432) sgs 207 - 214 MONOCLINIC II 2/M (PG2c) C UNIQUE sgs 3 - 5 MONOCLINIC III 2/M (PG2a) A UNIQUE sgs 3 - 5 **** Incorrect (0.0) CELL element in subroutine rbfro1?? ****Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtbad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalno spaceundelimited character stringlist iostlerliolist inread startstartiosfelist output startwrite starts_catendfilestartintinwriterecendgetenv_STOP statement executed NOYESZERONULLrewindr+wwmalloc failureopenfort.%ldsdfunmLbuf 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 %.9Gunknown type in lioleft offw_ed, unexpected code: %d w_ned, unexpected code: %d malloc(%u) failure in %s 0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d %#.*E%+.2d+00%#.*f?@[A?B=o:?L=5<>@F753 A@@@A8BB ף<B #?? _MbP?@z???$@8@87 RR(/ MASK READ SUCCESSFUL//)lD( OUTPUT MASK STATISTICS:,/, Mask contains ,i9, gridpoints, or ,f6.1, % of the cell,/,6x,of which ,i9, are set filling ,f6.1, % of the cell,/,38x,or ,f6.1, % of the mask,/)( Warning: The mask box covers more than one unit cell,/)D`E( Number of atoms read: ,i7)(/, WARNING: this PDB file appears to contain solvent atoms./, DO you really want to use these in your mask?,/)EF( Number of atoms read: ,i6/ Number of atoms used: ,i6//)F( smooth - smoothing radius too small)( MASK SMOOTHING:/ Points in mask before smoothing : ,i9/ Points in mask after smoothing : ,i9/ Points removed from mask during smoothing : ,i9/ Points added to mask during smoothing : ,i9/)G@G( MASK EXPAND:/ Before expand mask contained ,i8, points or ,f6.1, % of unit cell/ After expand mask contained ,i8, points or ,f6.1, % of unit cell/)@H( Found,i6, peaks)( Points outside mask ,i8)( Peak ,i6, size ,i8)I I@I( OVERLAP REMOVAL:/ Total number of copies of mask in unit cell: ,i3/ Before overlap mask contained ,i8, points or ,f6.1, % of unit cell/ After overlap mask contained ,i8, points or ,f6.1, % of unit cell/)I( MASK TRIM:/ Mask dimensions before trim:/ U ,i4, :,i4/ V ,i4, :,i4/ W ,i4, :,i4/ After trim:/ U ,i4, :,i4/ V ,i4, :,i4/ W ,i4, :,i4/)J( MONOMER GENERATION:/ Number of non-crystallographic syms: ,i3/ Before monomer-ing mask contained ,i8, points or ,f6.1, % of unit cell/ After monomer-ing mask contained ,i8, points or ,f6.1, % of unit cell/)K( Unit cell volume:,f10.1)( Orthogonalisation matrices:,3(/1x,3f8.3,8x,3f8.3))( Real space metric tensor: /1x,6f9.1)( Reciprocal space metric tensor:/1x,6f9.6)|LLL M9  environ.def default.def (a)@`@@OO(Invalid sub-keyword in position ,i2);P5XYZ(/ **MRDHDR: UNIT NO. MUST BE 1 TO 12, =,i3, **)( File name for input map file on unit,i4, : )(31x,file size =,i8, ; logical name )( File name for input map file on unit,i4, : )(/11x,Number of columns, rows, sections ,15(.),3i5,/11x,Map mode ,40(.),i5,/11x,Start and stop points ,on columns, rows, sections ,6i5,/11x,Grid sampling on ,x, y, z ,24(.),3i5,/11x,Cell dimensions ,33(.),6f10.5,/11x,Fast, medium, slow axes ,25(.),3(4x,a1))(11x,Minimum density ,33(.),f12.5,/11x,Maximum dens,ity ,33(.),f12.5,/11x,Mean density ,36(.),f12.5,/11x,Rms deviation from mean density ,17(.),f12.5)(11x,Space-group ,37(.),i5,/11x,Number of titles ,32(.),i5,// Titles :,/10(11x,20a4,/))(20a4) @QlQd lQd@lRd @@R`S T@@@``5(/ Minimum density in map =,f15.5, Maximum density =,f15.5/ Mean density =,f15.5/ Rms deviation from mean =,f15.5,/)@V (/ **MAP FILE HANDLING ERROR**)(/ **MWRHDL: UNIT NO. MUST BE 1 TO 12, =,i3, **)(/ **PROGRAM TERMINATED**)(20a4)( File name for output map file on unit,i4, : ) X`XX WXXdPCRYST1SCALE TER ATOM HETATMANISOUEND (CRYST1,3f9.3,3f7.2,1x,a15)(2(SCALE,i1,4x,3f10.6,5x, 0.00000,/),SCALE,i1,4x,3f10.6,5x, 0.00000)@YZ@@CRYST1SCALE TER ATOM HETATMANISOUEND 0123456789*'" *!@B\*!`**!$abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ()[()\()()@\r\()()\\ (/,/,/,/,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)@ ` ( ,a,: ,a)` UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU `````` (a, line--- ,a)@@ @$e$e $@'" #!0123456789+-*/E.e  =,   1234567890(/ **SYMMETRY OPERATOR ERROR**)( **INVALID CHARACTER...,a1, **)( **BLANK OPERATOR FIELD**)(/ **NO OPERATOR**)( **LAST GENERAL POSITION IS INCOMPLETE**)f g fEg fcg fg @XYZ123456789MAP |i@ HHELIBE B C N O FNENAMGALSI P SCLAR KCASCTI VCRMNFECONICUZNGAGEASSEBRKRRBSR YZRNBMOTCRURHPDAGCDINSNSBTE IXECSBALACEPRNDPMSMEUGDTBDYHOERTMYBLUHFTA WREOSIRPTAUHGTLPBBIPOATRNFRRAACTHPA UNPPUAMCMBKCFESFM DAN0H1H2H3H4H5H6H7H8H9HHH*H'H"H A (6x,i5,11x,i4)( *AMBIGUOUS ATOMIC FORMFACTOR ,a4, IN ,a4,1x,a4, ASSIGNED AS ,a2, *)( *UNKNOWN ATOMIC FORMFACTOR ,a4, IN ,a4,1x,a4,*)(30x,3f8.3,2f6.2)(28x,6i7))!jP`jd`jd`jd`@kd)!xkP)!kPPE1E2E3A // XO, C* // ZO (STANDARD PDB) B // XO, A* // ZO C // XO, B* // ZO HEX A+B // XO, C* // ZO A* // XO, C // ZO (ROLLETT) A // XO, B* // YO @)! @ ` )! P X)! P X X @X X X X @ X @ X$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $(
)lo(i2,/,i2,/,i2)(i2,2(:,i2.2))UNKNOWNUNKNOWNOLD    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) p`p@ pabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ( ,a)qqqB ?` \ @@ \ ` \  \ ` \ `UNKNOWN   SCRATCH   OLD       NEW       READONLY  b "b "( In PGDEFN: Nsym = ,i6)` s` $` $` $` $` $` %` @`  %`  %`  %` @( Inconsistency in Cell Dimensions - replacing old:,/, Old cell:,3x,6f10.5,/, New cell:,3x,6f10.5)uT|"!#namelist inputrealloc failureRxBB5palbagthdkf4jgrrst 6 666` ::::`:@: ::9999`9@99 998888`8@8 887777`7@7 70123456789ABCDEF|2Lf6Pj :Tn
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