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FFFEAR - normal termination datachkData CheckingdatasclData ScalingsolmskUser MaskexpmapExperimental Map Calculationfffearfffear 1.925/11/99#commandCommand input#mtzinMTZ input#datachk#datascl#tsearchTranslation Search#tresultSearch ResultscommandCommand Inputfffear.html#solcSOLCONT fffear.html#gridGRID fffear.html#searchSEARCH fffear.html#scaleSCALE fffear.html#centreCENTRE fffear.html#maskMASK fffear.html#modelMODEL fffear.html#strucfacSTRUCFACfffear.html#filterFILTER fffear.html#formFORM fffear.html#resolutionRESOLUTIfffear.html#truncateTRUNCATEfffear.html#labinLABIN fffear.html#titleTITLE SOLCMEANGRIDSTEPSEARPEAKRANGNATUSCALSHARFRACCENTORTHF000FORMRADIMASKMODERESOBFACROTASTRUREALRECIMAP FILTVARITRUNTITLVERBmtzinMTZ InputHKLINSOLIN XYZINMAPINMAXIN (RCARDS) input .mtz file absent (RCARDS) too many symmetry operators - limit 96 (RCARDS) data resolution too low (RCARDS) AVER: enter indentity matrix first (RCARDS) AVER: wrong number of ncs operators (RCARDS) NCYC: maximum ncyc exceeded (RCARDS) SOLC: content missing or out-of-range (RCARDS) NCSMASK NMER: compulsory for automask (RCARDS) Invalid MODE option (INICALC) error GRID too small for HKL data(HKLIN) Error in input mtz - must have 0 <= FOM <= 1 (HKLIN) Too many reflections - supply only ASU(a) $$ (CALCSCALE) - insufficent resolution: enter a SCALE card (WFO) No density in map! Check input FOM present and nonzeroProteinSolventUnknown(i3)orientPrepare search orientationsscatterPrepare scattering factorsmapfftRead map for FFTRead MLtarget for FFTmdlfftRead model for FFTmdlsfcRead map for sfcalctsearchtresultOUTPUTXYZOUTUOfeature mapMAPOUTINPUTWATHOHH2O ccpmapin - Mask section > lsec: recompile(7f9.3,i3) ccpmskin - Map section > maxsec: recompile ccpmskin - ccp4 read errorfrgmapin - Error: fragment map grid>program gridfrgmapin - Error: fragment map cell not cubicfrgmapin - Error: fragment map grid not uniformH C N O S Zn GRIDSIZE - GRID card does not fit symmetry restrictionsccpmskin - mask grid sizes are inconsistent ccpmskin - Msk section > lsec: recompile------------------------------------------------------------tocContentsCCPALC: bad number of argumentsIRDCBCCPALC: bad TYPE: CCPALC: length <=0Message number 00000000Last system error message:: WARNING: $TEXT:Warning: $$ 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 fileCCPNUN: Can't find an unused unit(A,I3,A,1X,I1,1X,A)(10A)(15I5)From LRASSN : Index is out of range (allowed 1..)From LRASSN : User input label does not match any file labelFrom LRASSN : Program Label was not assigned* Input Program Labels :CURWIN* Input File Labels :* Lookup Table : the number indicates the input column no.* Array element n corresponds to the nth program labelFrom LRASSN : Column type for program label does not match - file label is Error in label assignmentsFrom LRCELL : IndexFrom LRNCOL : Index(A,A,I3,A)(A,I3)(A,I6)(A,A)(A,I4,A,A,A,A,A)(A,I4,A,I4)(A,I4,A,A,I4,A)(A,I3,A,A,I3,A)(A,I4,A,I4,A)(I3)From LROPEN : IndexFrom LROPEN : Wrong index in call, files already open for read AND write on index pretty seriousFrom LROPEN : Wrong index in call, file already open for read on index all header info will be lost write on index output header may be corruptedRO WARNING: no architecture information in file -- assuming native. ? From LROPEN : Error reading 1st record of MTZ fileMTZ From LROPEN : File is not an MTZ fileHEADER INFORMATION FROM INPUT MTZ FILE ON INDEXVERSMTZ:V1.1 MTZ version of file incompatible with this version of the softwareMTZ file, Version Stamp NCOL From LROPEN : too many batches in file, maximum isCELLSORTSYMIFrom LROPEN : Unrecognised Lattice type in header, set to PSYMMFrom LROPEN : An error occured reading symmetry from header, No symmetry information storedVALMCOLUFrom LROPEN : Column Label has unrecognised type () - set to RNDIFPROJCRYSDATADCELDWAVBATCFrom LROPEN : Batch information in MTZ header inconsistentENDFrom LROPEN : Illegal keyword in MTZ header - line ignoredERRWINFrom LROPEN : Header indicates columns, but minimum allowed columns in MTZ file is columns, but there were column labels in header datasets, but PROJECT records in header symmetry ops, but ops were present in header batches, but serial numbers presentMTZHISTMTZBATSMTZENDOFHEADERSFrom LROPEN : Unrecognised line in MTZ file header - file may be corrupt, continuing ...From LROPEN : MTZ header indicates that file is standard MTZ but there are batch headers present - ignoring them Changing "rhombhedral" to "hexagonal" Changing "hexagonal" to "rhombhedral"(2A,3I4,A,F10.6)From LRREFL : IndexFrom LRREFL : There is no file open for read on indexFrom LRREFL : Error reading file - only words transferred, wantedFrom LRREFL : S value outside range from header, reflection S =Corrupt MTZ file?From LRREFM: IndexFrom LRREFM : There is no file open for read on indexFrom LRRSOL : IndexFrom LRSYMI : IndexFrom LRSYMM : IndexNo 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 expectedLABILABOInvalid keywordInput error (see above)PG23M3BARm3bar4324BAR3MM3BARMm3barm4224/MMM4MM4BAR2M4BARM24/mmm321323M13BARM13BARM3M3barm6226MM6BAR2M6BARM26/MMM6/mmm31231M3BAR1M3bar1m222MMMMM22MMM2Mmmm2C2M2/M2/m11BAR-133BAR-344/M4BAR4/m66/M6BARPGNLAU: point group name not recognised.(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 *****MAP FILE HANDLING ERROR**NEW logical name ERROR: in WBCELL file has not been opened ERROR: in WBCELL file is of type input(80A1) ERROR: in XYZADVANCE file has not been openedTERATOM (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 ***ANISOU(/,A)(A,/) **FILE DOES NOT EXIST > Logical name CBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARYCUNLINK: Can't unlinkCCPALC: can't allocate memory ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2 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 USERLOGNAME*** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ...(A,I4) Illegal number in field Real number expected at end of line(I8,1X,A,' / ',A)(9X,A)(9X,6F10.4)(9X,F10.5)(A,I7)(A,F18.2,A)(200I4)(A,1X,A,2X,2I19,1X,I8)(A,1X,A,2X,2I19)(A,1X,A,2X,2F19.4,1X,I8)(A,1X,A,2X,2F19.4)(6F10.4)(2F12.5,6X,A,F9.3,A,F9.3,A)(5I6)(A,I4,6X,A)(A,A,A,I5,A)From LHPRT : Index* Title:* Number of Datasets =* Dataset ID, project/crystal name, dataset name, cell dimensions, wavelength:* Number of Columns =* Number of Reflections =* Missing value set to NaN in input mtz file* Missing value set to in input mtz file* Missing value set to NaN in output mtz file in output mtz file* Number of Batches =* Column Labels :* Column Types :* Associated datasets :* Column Labels, Types, Ranges [and Dataset IDs] :* Cell Dimensions :* Resolution Range :( - A )* Sort Order :* There is no sort order recorded in the MTZ header* Number of Symmetry Operations = * Number of Primitive Operations = * Space Group =* Lattice Type = * Point Group Name = * Symmetry Operations :* Space group = (number From LRCLOS : Index(A,I2)From LRHDRL : Error reading header record from MTZ file, want 80 bytes, got (A,I5,A/1X,A) *** WARNING - More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file DataBad attribute in QOPEN: (4I8)(A,A,I2,A)RBATHD error: Error reading batch header record from MTZ file, only words read **Symmetry Operator ERROR** **Invalid Character... ** **Blank Operator Field****Symmetry Operator ERROR****No Operator****Last General Position is INCOMPLETE****SYMMETRY OPERATOR ERROR**(' 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_labelRD_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 missing No symmetry data !!!Warning: symmetry already givenWarning: R switched to H(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(A,I3,5X,A)(4F6.2)SYMTR3: character array too short(I1,A1)(1X,A1), Symmetry(A4)diskio.dft 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) *** 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 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 **MODECV: CONVERSION OF BYTE OR INTEGER*2 TO INTEGER UNAVAILABLE**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 ccp4calloc(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callPRINTERTERMCCP4_OPENUNKNOWNnl:UNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ;From LPHIST : Index* There is no History information in this MTZ file* HISTORY for current MTZ file : (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: (1X,A,A,A)(A,I5)(A,A,A,A) 1MSYMLB3: the supplied spacegroup name "" is an integerMSYMLB3: resetting spacegroup number to MSYMLB3: Error in format of SYMOP file: PABCIHRCUHEMSYMLB3: 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 **** Incorrect (0.0) CELL element in subroutine rbfro1?? **** *** Error in CCPTOI, bad convertion ***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 - 5Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtstartiosfelist output startwrite startendfilestartintinwriterecends_catread startNOYESZERONULLgetenv_bad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalno spaceundelimited character stringlist iostlerliolist inSTOP statement executed rewindr+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 0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d malloc(%u) failure in %s %#.*E%+.2d+00%#.*f?75#t5<>I@=>B?><?@@4C5<4DCo:8BBpBIABzDp}??@HB ף< #=;@? #<.eBo?XBX;q</;^<8<9<< :A;0YL?`?;D=->v?E@`@@@@@ @>@F A3@AL=BL>??j+? ?@z?v@f@MbP??@! @??@@i@ >MbP?@s*> _š?$@m#@54P4 1 RRRIIIIIII(/,,fffear reference:,/,
,/,K. Cowtan (1998),,/,2x,Modified phased translation functions and their,/,2x,application to molecular fragment location.,/,2x,Acta Cryst. D54, 750-756.,/,

,/) H K L FP SIGFP PHIO FOMO HLA HLB HLC HLD FDM PHIDM FOMDM FCAL PHICAL FREE HHHFQPWAAAAFPWFPI zzzzzzzzzzzzzzzzzzzzzzzzzzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDzDH K L S EPS FO PHIO FOMO HL-A HL-B HL-C HL-D FPC PHIPC FDM PHIDM FOMDM x x x x x x x FREE (/ Number of reflections on file: ,i6/ Number outside resolution limit: ,i6/ Number of systematic absences: ,i6/ Number outside asymmetric unit: ,i6/ Number of reflections used: ,i6)(/ Number of unobserved reflections: ,i6/ Number of centric reflections: ,i6/ Number of centric phases more than 4 degrees out:,i6/ Number of reflections used for search function: ,i6)(/ Program data read:/ Column: MIN MAX MEAN X MEAN X^2)(4x,a6,1x,f9.3,1x,f9.3,1x,f9.3,1x,f11.3)IJKKyD AA@@@@@fff@33S@@@333@ff&@@ @@ff???㥛="==n>L>}>ʡ>>>F>o?O ?X?l'?7?rH?Y? c?(/, Input data analysis:,/, Estimated intensity scale factor = ,f10.3,/ Estimated temperature factor = ,f10.3,/)( $TABLE: Analysis of input structure factors :,/, $GRAPHS: Data completeness with resolution :N:2,4:,/, : Mean F^2 with resolution :N:2,5,6:,/, $$,/, res 1/resol^2 number %present expect. obs. $$,/, (lim)(4sin2th/l2)(reflns) (completeness) (mean F^2) $$)(1x,f5.2,2x,f6.3,4x,f7.0,6x,f6.1,2x,2f9.0)@NNP|( Included reflections used for Free-R: ,i7, of ,i7/ Excluded reflections used for Free-R: ,i7, of ,i7/ Total reflections used for Free-R: ,i7, of ,i7/)P(12x,The masked region occupies ,f5.1, % of the cell.)(12x,Maps are x-y sections with the x-axis horizontal/12x,and the origin top left.)(/ Section ,i3, of ,i3/)(1x,a)@QQQQ(/9x,% of cell Min Rho Max Rho Mean Rho Std.Dev.)(1x,a7,: ,f8.1, ,f8.3, ,f8.3, ,f8.3, ,f8.3)(/ Density Number of counts: Number of counts:/ Range: (Protein) (Solvent))(1x,f8.3,8x,i10,10x,i10)`RRRRRIS5C?ALA ( Search range on Euler angles for this symm:,3f6.0,/, Search step ,f5.1, deg. requires,i6, orientations.)(Done,i6, of,i6, orientations (,i3,%) in,f10.2,s CPU,i8,s elapsed)( EULER,3f7.1, TRANS,3f8.2, Fit,f12.2)`TT>T~@U( PEAK SEARCH,/, Number of peaks found:,i6)U(/, Map noise level: ,f8.3, ML scale: ,f8.3,/)@V( Number of atoms read: ,i6/ Number of atoms used: ,i6/)V????????????????????@q=J???@ @@@)\?@@{>@33S@Qh@p}@G@ ד@ff@@@{@ף@33@@Q@H@p@AG A\A AAffA#A(Aq=.A3A8A{>A)\CAףHAMA33SAzXA]A= cAQhAmAHrA(xAp}A)\AAףAGAA\A33A דAzAA›AffA= AAQAAAq=AHAA(A̸ApA{ARA)\AAףAGAA\A33A AzAAAffA= AAQAAAq=AHAA(AApA= B???\B>??@ @R>@@@@ff@ @ףA)\ A{A AR&Aq=6A@AKAffVAaA kA\vAףAA)\ARA{ApA̠A(AAHAq=AAAQAA= AffAAAzA A33A\AAףBQBBB)\ B= BRBffB{BBpBB Bz#B(&B (B+B33.BH0B\3Bq=6B8B;BG>B@BףCBQFBIBKB)\NB= QBRSBffVB{YB[Bp^BaBcBzfB(iB kBnB33qBHsB\vBq=yB{B~BףBB???AAAAA(A= A{AAAAAAAA BAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA???= @@@@@@@@@8@`@z@@@@@@@@@@@@@@@33?@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@???Zd;O??(/, SEARCH MODEL FROM ATOMIC COORDINATES,/, Radius ,f5.1,A, Centre ,3f6.1)c(/, SEARCH MODEL FROM INPUT MAP,/, Centre ,3f6.1)(frgmapin - Fragment map is too big for current calc.,/, Either increase the GRID in fffear, trim the map to,/, remove unused sections, or calculate the fragment density,/, on a coarser grid. Maximum allowed dimension is ,i4)d@d(/ Unknown density mean ,f8.4, Std ,f8.4)( Likelihood weights range ,2f8.4, Map std ,f8.4)(/, SEARCH MODEL FROM INPUT MAP,/, Centre ,3f6.1)(frgmapin - Fragment map is too big for current calc.,/, Either increase the GRID in fffear, trim the map to,/, remove unused sections, or calculate the fragment density,/, on a coarser grid. Maximum allowed dimension is ,i4)`eee f(/, FFT SEARCH MODEL AND MASK,/, Model grid,i4,/, FFT grid ,i4,/, Map grid scale,f7.4,/, SF grid scale ,f7.4)( Mask volume,f10.1, <rho>,f10.1, <rho^2>,f10.1)( FH(000) (,f10.2,1x,f6.2,),/, EH(000) (,f10.2,1x,f6.2,))`gg@h(/, FFT SEARCH MODEL AND MASK,/, Model grid,i4,/, Map grid scale,f7.4,/, SF grid scale ,f7.4)( Mask volume,f10.1, <rho>,f10.1, <rho^2>,f10.1)( FH(000) (,f10.2,1x,f6.2,),/, EH(000) (,f10.2,1x,f6.2,))h`ii( Truncating formfactors to ,f4.1,A. f=a1 exp(b1.s))( Using natural formfactors f=a1 exp(b1.s)+a2 exp(b2.s))(2x,a2, Z=,i2, a1=,f7.3, b1=,f7.3, a2=,f7.3, b2=,f7.3)`jjjjjjjj(/, EXPERIMENTAL MAP FILTERING)l(/, SEARCH MODEL FILTERING)8l( Filter radius ,f5.1,A, neighbourhood ,i4, points,/, Filter sphere grid steps ,3i3)lC( 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) m@mmm(/ Grid dimensions ,3i4, must contain the following prime/ factors for agreement with symmetry restrictions- ,3i4/)@n (/ MAP/MASK READ SUCCESSFUL//) o? @x =Z$>4w>> >/>B`?-?E?_?j{???H?u?|?/>jޱ>>b> ??>y(?/4?@?ZI?>{>vq>S?g?L*?vq;?uJ?0LV?Nb`?>yh?n?*s?9Ew?y?{?}?}?~?M~?I.?A(For inline graphs use a Java browser)v(/,,a,)(/,,a,)(a)(/,/,a,/,a,/)(/,a,/)vvvvv( )w( Data line--- ,a, ,a)( Data line--- ,a,a)x5x(

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    )(-------------------------------------------------------)()()@r()()abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ()|( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2) ( ,a,: ,a)t UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU ww(i2,/,i2,/,i2)(i2,2(:,i2.2))( ,a)xxx |d|} ` ` `` ` ` ` ` ` ` ` ` ` ` `  `@ `` ` ` ` ` ` `@ `@ `  `@  @`P754<@? (a, line--- ,a) ȉ ȉΉ@MΉ`d  1234567890؉ ؉`؉@ډ` $@'" #!0123456789+-*/E.e  =, ݉`  1234567890(/ **SYMMETRY OPERATOR ERROR**)( **INVALID CHARACTER...,a1, **)( **BLANK OPERATOR FIELD**)(/ **NO OPERATOR**)( **LAST GENERAL POSITION IS INCOMPLETE**)#@XYZ123456789@`MAP < 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)Pdddd8PJPPE1E2E3A // 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`XPXXX`X@XXXX(0TRANSFER ERROR DETECTED IN MDFTKD,//)( FFTLIB: Largest factor exceeds ,i3,. N = ,i6,.)( FFTLIB: Factor count exceeds ,i3,. 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