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|\ETh|xh[‹2։E} }}ۋx;|}m}teE;Er5EUE;u Ex uE``E9Euu`EDžtEEE;Ev*UHUMuIN ΉrtE̐EEE;Ew/EJEP)tEUJt)։pEQEPUt/EP`pphT‰PDž`Džp}=t#YPjsER詝‰[E[T;P} T|[h<`hT;P~PT)щșh`[\PhPXTP`PE}t U[ƒ:u1}EPT[ƒ:PT)щșh`[‹`;~[‹`\PhPXTP`PE}t UE`PT[‹2։E}tET;P| E.E |! ~ t[‹2։EӃ}/t}$t}&t[1R[ƒ:} }}[‹2։Eۃ[ЍD[ыRUR0փ;HЋUҀ<u)}|#YPj}ERÚ‰[ЍD[ыRUR0փ}t;HЋUҀ<up`)Љ‰pIEEE;Ev1E@U@;}EPTE@E([^ÐUVS[KKEP*E}t UK‹x(tc􍃛K‹PtEE8t";IPRxKЍ3LKЍL_KЍLEP=EK}tU ‰e[^ÐUVS[GJƒ:t_J‹2֍e[^ÐU VS[j EPEPEP EJ‹UЍgJ;|WJj 2փ}tWJj-2փE8u WJЋU QE0փ֍e[^ÐUS[`I‹I;|E PjEP?]ÐU VS[EEU M􍃿Iƒ:tbE} ~5E U| u(M } ~E U| tEU MEEE;ErEE8'uE捃I‹M EgI;|}uIƒ:uWIj 2փ}tvWIj'2փE;Er>E8'uWIj'2փWIЋU QE0փ븃WIj'2փ+E;Er WIЋU QE0փ֍e[^ÐUVS[u FE ffEu-FE ]  FE ffD@u0F.FE $PVuRu(E.EEEuEEFEF믐+Ue[^ÐU WVS[uF‹:EEFuEP׃e[^_U$S[E$EP FtF;|EPj]ÐUPVS[E$EP%EčEEE8 tMEE$EPPUEȉEE8 tMEE‹UЉUBF;|Fj 2փFj(2փEPFj,2փE‹UЍF;|$E‹2փFj 2փEPFj)2փe[^ÐUS[EEU;|E‰Ѓ w>5␐R]y9X0G#.PhE UE UE UEPE ]E]E ]E]E]uuME EE]E]EE]E]&E EE]E]EE]E]E]uuE]uu6JE UE UE UEPE ReEPE PEE EY1xÐU$S[Exc Ex|5E8tePjeceUB‰AэUE8uWEPRlPEPC‹PEPE}tEPh1,E@$ExtEP1]ÐUVu EPj=~EPP0u3EPjEPPu+u1ÐU$S[EUB‰l@эUExt1EUR?EjjEPEPEE;E}Ext Exu 1ER}uYAЋUJʍ PEPRFE}uEEx(t E@(A‹PEPRE}tpE}uEEPEPEP t ErEPA‹PEPRyE}uǃEP%EPEPEPt뙋E@(E@EPUE Aщ}t2E8toDPjoۆo1]US[EEEP‰ЉEu7E PEPP@>P |<P%U]ÐUEU MEU ME;EwE7ME8 tMދEMEU MEM;EwÐUEE;E} E8uE U EE EאE;E|E E EÐUhEPEP}E UUÐUWVS[}~EEED}}E؉EE+EE H@0HfEHMM}1u։0EU u1uM}uE +UHȋMe[^_UVS[EE}E$<ƒ:t.$<‹E9}$<‹E9~$<ƒ:M}u E]E]EffEuEEE]9ET<‹EEffD@uEEEUEU )‰U}}+M } }􍃬<j*2փ1$<ƒ:}$<‹E}(~E؉EE(EE$EPdPEP hEPE will be excluded B factors will be reset to the lower limit B factors will be reset to the higher limitConversion to asymmetric unit doneCheck for completeness of the model done.MR1 .SP1.DN1Density analysis done.SP2.RM1Removal of atoms done.EX1ALLA OWATE Atoms with non-zero occupancy read: Written to extend:Extension of coordinates done.WS1Addition new atoms done.MD1 Too low density threshold For Model # atoms are selected firstDELETEXYZOUTMAPIN1map header Too few sections in input mapSection size exceeds memory - S/R ARPDN1Map LMODE value is not supported(/' Map is to be searched:'/)(' Grig Fast ',A1,2I6)(' Grid Medium ',A1,2I6)(' Grid Slow ',A1,2I6//)(' Map will be analysed in',I4,' passes')(I7,' points read during this pass')(A,I5,A)(I7,' Atoms are out of map'//)Too many sections - increase dimension in S/R ARPDN2 ERROR IN INSECNINSEC.GT.NPP Processing... sections have been analysed(A,A5,1X,A3,1X,A1,I4)(I7,A)(I7,A/) Error in ARPMRG - Contact programmer Removed on the basis of merging (located too close): Removed on the basis of merging (located too far): pairs of waters have been removed (merged) waters located closely to protein have been removed (merged) atoms located too far have been removed (merged) atoms in total have been removed during merging partially occupied atoms were not considered for merging(A)(I4)(2F6.2)(30X,3F8.3)(3F8.3)(/A/A)(/A/2F6.2/2F6.2/2F6.2/)(I5)(I4,4X,3F8.3,2F6.2,I4)(/A,A)(/I7,' atoms written to output')(I7,' of these are with zero occupancy'/)HETATMCRYST Error in identification S/R ARPREN 0.00 non-WAT atoms have been moved by more than 0.01 A As no non-WAT atoms are there in the model, the output will be placed into the asymmetric unit Molecular boundaries (fract): ATOM 1 Error 9999 in S/R ARPREN - contact programmer Residue number for WAT atom is higher than 9999 Change chain name for new atoms in the command file Must exit(A,F8.3,A,F8.3)(' Number of atoms to be removed: ',I7)(A,F4.1,A,I7)(' Number of atoms will be removed: ',I7)(' Stars (*) indicate outliers'/)(A,A5,A3,1X,A1,I4,A,F8.3,A,F7.3,A,A,F6.3,A)SQR Density function: Average: Sigma: Sphericity function: Average:DIV Number of atoms in density .LE. sigma: * Removed: Dens above mean Sigma Non-spher(/I7,A,F4.1) points will be used to describe a sphere with radius ofMAPIN2Section size exceeds memory - S/R ARPWS1(/' Input map limits:')(' Grid Fast ',A1,2I6)(' Grid Slow ',A1,2I6)(/)(/A/)(A,I8/)(/A/A,2F10.5/)(A,F8.3,A,F4.1,A,I5,A,I5,A,I5,A,F5.3)(/A,F8.3,A,F4.1,A)(/' Input to a new atom search routine:')(A,F8.3,A,F5.2,A)(' Distance limits: ',2F8.3)(' Close contact distance:',F8.3)(' Number of new atoms: ',I8)(' New atom residue name: ',' WAT')(' New atom name: ',' OW0')(/A/A,F8.2)(/I7,' Atoms taken from input file'/)(/' Distance between slow axis planes:',F10.5/)(/' Number of sections for shell',I5/)(' Too many points expected to be found')(' Threshold is changed to',F8.3)(' Too many points found')(' Other sections will be skipped')(1X,A1,A,I4,A,I5,A,I5,A,I5,A,I4,I7)(//' Total number of points found:',I7)(A,I5,A,I5,F6.3,A,I6)(A,A,F10.5)(A,I5,A,F8.3,A,F6.2,A,F5.1,A,I7)(// ' Total:',I5,' New atoms found'//) Input map exceeds asymmetric unit - reduced map will be analysed: Statistical test for significance of density threshold Number of points in the map Histogram follows a Gaussian distribution with parameters (mean and sigma): There is no statistically significant signal in the map Thres N sig Points>Thres Noise Signal Prob Threshold selected: ( sigmas ) Density threshold: Density does not seem to be in the absolute scale It will be scaled up byToo many atoms read - S/R ARPWS2 N Problem with density map. File may be corrupted= Atoms/Shell= (N+O=) Points>Thres= Selected Atoms to find Prob to select site # NOMIT Selected Not selected Density= OW0 New atom Density Sigma Bfac Points skipped(/A/A/A)(/A/A/A/A/A,A/A/)(/A/A/A/A/A/A/)(/A/A/A,A/A/)(//,2A)(/' Asymmetric unit limits',3(5X,I2,' /',I2)/)(/A)(A,I2,5X,A,2I5)(/A,A/A/A/A/A)(/A,A//A/A/A//A/A/A)(//A,A,I5,2X,A)(A,A/)(A,A,6F8.3)(A,A,I4,A,F4.1,A)(A/A/A/)(A,A)(A,A,F6.2,A)(A/A/)(12X,A)(12X,A,F4.1,A)(A,A,A,F6.2)(A,A,A/A,2F6.2/A)(A,A,A)(A/A/A//)(A,A//)(A,A,F5.1,A,F5.1)(A,A,F5.1,A)(A,A,F5.2,A)(/A,A/A,I4,A/A,I4,A)(/A,A/A,F6.2)(/A,A,I6,A,A,I5,A/11X,A,2F6.2,A)(A,I2,A,A)(11X,A/11X,A,F6.2,A,F5.2,A,I6)(11X,A/11X,A,I5,A)(11X,A,I1,I7,A/11X,I7,A/11X,A,I1)(/A,A/11X,A)(A,A,I1,A) Comments: -- WARNING -- This is not a standard use of ARP Data Card END is missingMODENORE Input must start with the keyword MODEMODE update waters/allatoms :MODE mirbuild:MODE shakemodel light/allatoms :MODE reflaver Optional keywords: CELL cell parameters REFINE waters/allatoms Required keywords: SYMM spacegroup RESOLUTION resmin resmax FIND ATOMS number CHAIN string CUTSIGMA number/AUTO and/or REMOVE ATOMS number CUTSIGMA number [MERGE number] [KEEP ZEROOCC] MIRBUILD ATOMS number MODELS number END (must be the last keyword)LIGH SHAKEMODEL [ BEXCL n1 ] [ BRESET n1 n2 ] [ RANDOMISE x ] [ SHIFT x y z ] LABIN input labels for FP SIGFP [FREE] FCx PHICx LABOUT output labels for FCAVER PHAVER FOMAVERCELLCELL a b c alpha beta gammaSYMMSYMMETRY Space_group_name ***Warning - Resetting space_group name from Hxx to Rxx for ARP run only.RESORESO Resolution_min Resolution_max Keyword RESO is not accepted in this modeREMOREMOVE ATOMS number CUTSIGMA number [MERGE number] [KEEP ZEROOCC] Keyword REMO is not accepted in this modeCUTSMERG Value of merging distance must be within 0.0 and 2.2 AKEEPZEROFINDFIND ATOMS number CHAIN string CUTSIGMA number/AUTO Keyword FIND is not accepted in this modeCHAIAUTOFDISFDISTANCE NEWOLD number number NEWNEW number Keyword FDIS is not accepted in this modeNEWNNEWOREFIREFINE string Keyword REFI is not accepted in this modeLABI Keyword LABI is not accepted in this modeHKLIN Cannot open input HKLIN fileFPSIGFPFREE FP label must be input SIGFP label must be inputFCPHIC Both FCx and PHICx must be given - check input Set # Column numbersLABO Keyword LABO is not accepted in this modeHKLOUTWARPWARP number number Keyword WARP is not accepted in this mode Nwarp number must be a non-negative integer Dwarp number must be positiveNORESET NORESET option is on You are able to overwrite ARP defaults Make sure you know what you are doing !!! Auto resetting of some input parameters is now DISABLED In the MODE UPDATE: You can input keyword WARP You can input keyword FDIS to change distance defaults In the MODE MIRBUILD: You can input keyword MIRPARAM to change MIRBUILD defaultsMIRBUILD ATOMS number MODELS number Keyword MIRB is not accepted in this modeMIRPMIRP SIGM # STEP # ABAN # [ TAR1 # # ] [ TAR2 # # ] [ TAR3 # # ] Keyword MIRP is not accepted in this modeSIGMSTEPABANTAR SHAKEMODEL [ BEXCL n1 ] [ BRESET n1 n2 ] [ RANDOMISE x ] [ SHIFT x y z ] Keyword SHAK is not accepted in this modeBRES Lower value of B factor reset must be greater than 0.5 Higher value of B factor reset must be smaller than 200.0BEXC Value of B factor exclude must be greater than 0.0RAND Value of rms random shift must be greater than 0.0SHIFEND Data Card SYMM is required in this mode Space group Data Card RESO is required in this mode Data Card CELL is missing Data Card CELL is required in this mode Cell parameters will be taken from the PDB header Cell parameters Data Card MIRB is required in this mode Data Card SHAK is required in this mode Either REMO or FIND Data Card is required in this mode Remove old atoms if below sigma in MAPIN1 -- a value between 0.5 and 1.5 sigma is recommended -- assuming that MAPIN1 is 3Fo-2Fc map Analyse waters only for removal Waters with zero occupancy will be left in the file Waters located closer than A to each other will be merged A to protein atoms will be removed -- a value of 2.2 A for merging distance is recommended -- use of MERGE data card is advisable Analyse all atoms for removal Atoms with zero occupancy will be left in the file -- such value of merging distance is dangerous to use -- a value of 0.6 A is recommended Look for new atoms in MAPIN2 Above threshold which will be defined automatically Above threshold of sigma -- use of CUTSIGMA AUTO option is recommended -- assuming that MAPIN2 is Fo-Fc map New atoms will not be put closer than to existing atoms New atoms will be selected if there is any atom exists within New atoms will be selected if there is N or O -- H-bond limits of about 2.3 and 3.3 A are recommended to each other New atoms will have B-factors assigned on the basis of MAPIN2 -- density hight as expected for resolution range -- MAPIN2 is assumed to be Fo-Fc map in absolute scale New atoms will have chain name Real space refinement will be applied to all atoms -- it is not recommended to apply real space refinement -- to all atoms unless resolution is about 1.0 A Real space refinement will be applied to water atoms The following will be applied to the atoms The following will be applied to light (C, N or O) atoms B factors lower than will be reset to B factors higher than Atoms with B factor equal to or higher than Uniform random shifts with an r.m.s. of will be applied Atoms will be shifted by A along a axis A along b axis A along c axis -- No removal will be made -- use both removal and addition of atoms is advisable -- No addition will be made -- No real space refinement will be made -- real space refinement of waters is advisable wARP option is on Accept first new atoms in the search routine Accept remaining atoms randomly Distance cutoff to anything with NEL > 8 Nwarp must be less than Nfind Input MAPIN2 will be filled by atoms up to per pass within distances from each other such model(s) will be output with the following parameters: Density threshold (in r.m.s. units) will be lowered down from in steps of until the number of atoms reaches Density threshold will only be lowered down if less than atoms per pass are found Additional parameters: atoms will be placed first atoms in the highest density will then be accepted model will be output to the logical stream XYZOUT Weighted reciprocal space averaging of multiple refinements will be employed There are FC/PHIC sets to average Too few FCx/PHICx on input FCx will be scaled to FP Average phases and FOMs will be output(/I7,A/7X,A,F8.3)(A,' from',F8.3,' to',F8.3)MAXNSP is too small S/R ARPSP2 atoms have been refined (XYZ) in real space R.m.s. shift applied Sphericity function for them is to improve(/A/A,I1,A)(A/A,2F4.1,A,F4.1)(' Atoms expected for typical protein',I8)(' Atoms in the asymmetric unit ',I8)(' Well separated atoms ',I8)(A,F6.3) The model is not complete enough to allow removal There may be a problem with origin or enantiomorph only up to atom can be added Geometrical constraints are changed to: FDISTANCE NEWOLD NEWNEW VF000 is(/I9,A)(I9,A)(I9,A,A)(I9,A/)(A,I2,15X,2F8.3,5X,A,F10.3)(A,9X,2F8.3)(A,2F8.3/) Increase dimensions in S/R ARPAMR reflections in the file reflections to work reflections flagged for Rfree reflections flagged as missing or outside resolution limits reflections skipped for other reasons Rfac / Rfree for set # Scale Rfac / Rfree for averaged set Weighted Rfac / Rfree for averaged set Increase dimensions in S/R ARPRRM First 3 columns are not of type H Math. error in S/R ARPANG(/A/1X,A)(/A,I1,A)(1X,3F12.6)SCALE1SCALE2SCALE3Read from PDB file: Translation component in SCALE card is not allowed CRYST card is missing in PDB file SCALE card is missing in PDB header Non-standard orthogonalisation in PDB header(// ' MAPIN',I1)(' Map grid (X,Y,Z)',3I4)(' Map limits ',A,2I4,A,2X,' Recommended',2I4) <== This is incorrect(/' ----- Difference in cell parameters detected')(' ----- Cell from ',A,':',6F8.3)(/A/A/) !!! WARNING !!! Job will continue to run but check input files !(/A,A,I3,A,I3)(/1X,A)(1X,A/) The line contains non-ASCII character (decimal value ) at position # ??? Tab character ??? ??? Illegal carriage control character ???(' Extra conditions:',/1X,A)0<2*X-Y<1, 0<2*Y-X<1X+Y<1, Z0.5, X-Y<0.5, X+Z>0.5, X-Z<0.5, Y+Z<0.5Z>X, Z>Y, Z-X<0.5, Z+Y<1.0X>Y, X>Z, X-Y<0.5, X+Y>0.5, X+Y<1, X-Z<0.5, X+Z>0.5, X+Z<1Y+Z>1, Y<5/8, Z<5/8, Y-X<0.5, Z-X<0.5, X+Y<1, X+Z<12*X+Y+Z<2.5, 2*X-Y+Z>0.5, X+Y+2*Z<2.5, XZ, Y-Z<0.5X+2*Y-Z<1.5, X+2*Y+Z>1.5, 2*X+Y+Z>1.5, X>Z, Y>Z, X-Z<0.5Y<5/8, Y>3/8, X<5/8, Z>Y, Z>X, Z-Y<1/4, X-Y+Z>3/8 Too large dimensions S/R ARPDET(/' ***** ERROR *****')(' Cannot find file with logical name ',A)Extend-box is too large. Increase dimensions in S/R ARPEXT(2X,I8,2X,I8,2X,F14.6)(4(2X,F14.6))ATOMSF Cannot read form factors Array size too small S/R ARPINV)Singular matrix S/R ARPINV Increase dimensions S/R ARPMIN Increase dimensions S/R ARPMNG Alpha Ncyc Sqrt(Chisq/N) Parameters(' Orthogonalisation code',I2)(/' Transformation matrix Fract. to orthogonal')(/' Transformation matrix Orthogonal to fract.')Illegal orthogonalisation code Failed to find input file Integer out of limits 0 to 214 - S/R ARPPAK(/A,I3,A,I3/1X,A) Not enough tokens in this line. Found: Expected: Increase dimensions S/R ARPPO3(55X,A)( A )(/ 1X,A) ^^^^^^^^^^^^^^^^^^^^^^^^ Not acceptable atomic coordinates Illegal atom name: ^^ WARNING: For atom atomic name and number do not agree Illegal occupancy (must be within 0.0 to 1.0)(/' This Data Card in not understood')(A,A,A,I3,A)(1X,A) Missing keyword Keyword must be followed by field(s) Expected format::(/' This Data Card in not understood'/,' ',A)(1X,5A) Cannot accept field shown by arrows: ==><==(I2,1X,I2,1X,I2)(/' Space group number ',I5,A15)( ' No of symmetry operators',I5)(/ I4,A,A,A)(3F8.3,F12.3)(/A,F6.2)identity matrix -fold rotation inversion matrix -fold rotoinversion 1 2 6 7 8 9 10 3 4 5 This space group is not supported Too high symmetry symmetry matrix () and translation vector: Something is wrong with this matrix, Determinant is Problems with asym. unit. Check code or symmetry operators(I6)(1X,79A)### ARP/CCP PROGRAM SUITE: ------------------------------ Victor S. Lamzin ###(A,A2,A,A1)#### -------------- This module has been modified for the CCP4v4.0 --------- ###(/' WARNING: illegal argument of ',A) SQR/DIV only are allowed. S/R ARPZAR CCPDPN: illegal status : CCPDPN: illegal type: ('CCP4 software suite: library version ', 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 !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 fileCUNLINK: Can't unlinkCCPALC: can't allocate memory(' ERROR with label assignments ',A,' and ',A)(' Neither ',A,' nor ',A,' recognised')(' OR maybe ',A,' has been assigned twice ')ERRWIN 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,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 LRCLOS : Index(A,A,I3,A)(A,I3)(A,I6)(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 TITLNCOL From LROPEN : too many batches in file, maximum isSORTSYMIFrom LROPEN : Unrecognised Lattice type in header, set to PFrom LROPEN : An error occured reading symmetry from header, No symmetry information storedVALMCOLUFrom LROPEN : Column Label has unrecognised type () - set to RNDIFPROJCRYSDCELDWAVBATCFrom LROPEN : Batch information in MTZ header inconsistentFrom LROPEN : Illegal keyword in MTZ header - line ignoredFrom 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 index(A,I2)From LRREWD : IndexFrom LRREWD : There is no file open on index(A,A,I4)(A,I4)(A,1X,A,I3,A,I3,A,1X,A)(A,I4,A)From LWASSN : IndexFrom LWASSN : Not enough output columns - minimum allowed isFrom LWASSN : Too many output columns - maximum allowed isFrom LWASSN : Column type for output program label file label is From LWASSN : Duplicate column labels in output file,columns and both have the labelFrom LWASSN : Unrecognised output column type, column, set to R* Output Program Labels :There were NO output program labels* Output File Labels :* Output File Column Types :(A4,1X,I8,1X,I12,1X,I8)(A4,1X,6F10.4)(A4,1X,5I4)(A6,1X,2I3,1X,A1,1X,I5,1X,A,1X,A)(A4,1X,2F12.5)(A4,1X,A4)(A4,1X,F18.5)(A6,1X,A,1X,A,1X,2F17.4,1X,I4)(A6,1X,A,1X,A,1X,2F17.4)(A4,1X,I8)(A7,1X,I7,1X,A)(A5,3X,I7,1X,6F10.4)(A6,2X,I7,1X,F10.5)(A5,1X,12I6)(A7,1X,I3)(A7)(A15)From LWCLOS : IndexVERS MTZ:V1.1 TITLE SYMINFSYMM NANCOLUMNNDIFFRNPROJECTCRYSTALDATASETDCELLDWAVELBATCHEND MTZ HEADER INFORMATION FOR OUTPUT MTZ FILE ON INDEX(A,I2,A)From LWOPEN : IndexFrom LWOPEN : File already open for write on index - disaster!From LWREFL : IndexFrom LWREFL : There is no file open for write on index(A,I5,A/1X,A) *** WARNING - More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file DataUSERLOGNAMECBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARYMessage number 00000000Last system error message:: WARNING: $TEXT:Warning: $$ comment $$ $$CCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callTERMCCP4_OPENUNKNOWNNL:nl:/dev/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTWORDSFORTRANLISTSCRATCHCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: 4.2.24.2(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 ERROR in s/r GETELAPSED calling ETIME(1X, A)()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*** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ... 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 LRHDRL : Error reading header record from MTZ file, want 80 bytes, got Bad 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**(A,A,I2,A,I8)From LRBRES : IndexFrom LRBRES : File open on index is NOT a multi-record file has no batch number From LRBSETID : IndexFrom LRBSETID : no batches present to read!From SET_MAGIC : Index(A,I3,5X,A)(4F6.2)SYMTR3: character array too short(I1,A1)(1X,A1), Symmetry(A,4I8)BH BHCH (/,A)(A,/) **FILE DOES NOT EXIST > **MAP FILE HANDLING ERROR** Logical name ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST****UGERRBYTES;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: diskio.dft(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: Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtdo_usdo_udstartiosfeendfilestartintinwriterecendsueread startstartwrite startlist output startrewinds_catSTOP statement executed NOYESNULLgetenv_r+wwmalloc failureopenfort.%ldno spacesdfunmLbuf 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 bad repetition countinvalid integerexponent fieldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalundelimited character stringlist iostlerliolist inABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789_namelist readSkipping namelist "%s": seeking namelist "%s". %.9Gunknown type in liomalloc(%u) failure in %s %#.*E%+.2d+00%#.*fnamelist output start??BHC> #<88<= =aAfff?B4CpA?@@@A333? @L?33@ @`@?L= ף;>LBo:@=<'7 ?>=_cX A@F*==?t?#tIB75@All?@@??0@@q=MbP?؎@s*> _??$@G GFdZd;O?$"?? ,2 (/1x,----- ,a, -----/)   @  ?  ? &? XYZ@)`))))*@*`*@+@+`+`+`+++--?-B?-6?- ?.P? .-`+@.`.?.?.0.?--. /22 2`22235XYZ55)6.5)6 6@6`66@6667@7`777 8`8889@999: :`:::-; ;`;H K L FP SIGFP FREE FC1 PHIC1 FC2 PHIC2 FC3 PHIC3 FC4 PHIC4 FC5 PHIC5 FC6 PHIC6 FC7 PHIC7 FC8 PHIC8 HKLFQWFPFPFPFPFPFPFPFP H K L FP SIGFP FREE FCAVER PHAVER FOMAVER HHHFQWFPW AAA@.AAB B`B? $? B--BB? `B`B`B`BB.C C@C`CCCCCCCCCCC`C@CCD`CC D DCC@D`DCDD-CDDDEEEE`BC`BC.C E@E`EEEECF@F`FCCkl`Blm m`mmm`oooooop p-r? r`BrXYZttt u`u`uu v@v`v--`wy`vy@z`z`z{{r|r| HHELIBE B C N O FNENAMGALSI P SCLAR KCASCTI VCRMNFECONICUZNGAGEASSEBRKRRBSR YZRNBMOTCRURHPDAGCDINSNSBTE IXECSBALACEPRNDPMSMEUGDTBDYHOERTMYBLUHFTA WREOSIRPTAUHGTLPBBIPOATRNFRRAACTHPA UNPPUAMCMBKCFESFM(6x,i5,1x,a5,a3,1x,a1,i4,4x,3f8.3,2f6.2)-@v`}.}`D}@C@6-$uJ`ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz123456789.()  PCIFR123456-  (23<FP,-KMOT^h&= 6    0NList of symmetry operators is corrupted. Check 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)CEP0KKCAKJKEGHBCvFDfDBnGFPCE)0KLCAKGSEGHBCvFDfDBHGFvCEf0KMCAKISEGHBCfFDvDBHGFfCEv0KNCAKHFEGHBCHFDHDBnGFnCEn0LBDAKGGPEGHBCHFDHDBHGFHCEHGEACBADFABDAFGAECA0LCEAKFGGMEGHBCfFDvDBnGF)CEPGEYCBADFoBD5FGgECI0LDEAKJGGMEGHBCvFDfDBnGFPCE)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  @vJ`abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ(/ User: ,a, Run date: ,a8, Run time:,a/)` JE()()!!()()"""(i2,/,i2,/,i2)UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDUenviron.def default.def (a)`zJ-`zJ-`zJ`-$$JJJJJ`JJJ@J`HJFDQPWABYIRGKLMPABCIFRH? J` J@ J@ J@@J` J J- JC J J- J- J J J J J hJ@H JC JCJ`J`JJJ`J`J`JHJFDQPWABYIRGKLM`J``J@`J``J`J`JJ`JJJJJ J@J`JJJJJJJJ J@J@J`JJ|K`P}K`}KK`K` (a, line--- ,a)---K,K,(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) @00 K1abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ  (/,/,/,/,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.,/,/)2 K@K`( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2)-5``$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $( ,a)777K`dK`K`@K` @KC @K  @K@ @K` @K @K` @K @K- @K @K- @K @K` @K @K @K  @K@ @K` @K @K @K @K` @K` @K @K KP754<@?KMKd  1234567890K`KK`K`K-@K`XYZ123456789@K@KKP5XYZ(/ **MRDHDR: UNIT NO. 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)AabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZL`UNKNOWN   SCRATCH   OLD       NEW       READONLY  L`LT7,766|77TDU4XSWdT[|\dpoqqu|vu``#L`@ `@ @`@ `@ 0123456789ABCDEF"!#namelist inputrealloc failurehXnamelist read start namelist read9Sm	#=Wq
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