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PyX ⍀ P_X ⍀ PEX⍀P+X⍀PX⍀PX⍀PX⍀PX~⍀~PXh⍀hPXR⍀RPuX<⍀<P[X&⍀&PAX⍀P'X⍀P X⍀PX⍀PX⍀PX⍀PX⍀PXv⍀vPqX`⍀`PWXJ⍀JP=X4⍀4P#X⍀P X⍀PX⍀PX⍀PX⍀PX⍀PX⍀PmX⍀PSXn⍀nP9XX⍀XPXB⍀BPX,⍀,PX⍀PX⍀PX⍀PX⍀PX⍀PiX⍀POX⍀P5X|⍀|PXf⍀fPXP⍀PPX:⍀:PX$⍀$PX⍀PX⍀PX⍀PeX⍀PKX⍀P1X⍀PX⍀PXt⍀tPX^⍀^PXH⍀HPX2⍀2PX⍀P{X⍀PaX⍀PGX⍀P-X⍀P__dyld_mod_term_funcs__dyld_make_delayed_module_initializer_callsThe kernel support for the dynamic linker is not present to run this program. PickPickNoCountNameIdentClassImagePickXYZRasMol Server TCP/IP Port: %d Advise:Unadvise:*** Quit ***rb.rasmolrcHOMERASMOLPATHrasmolrc%d%ld %ld %ld %ld Profiling Execution!Execution of %d frames Duration = %g seconds usage: rasmol [-nodisplay] [-script scriptfile] [[-format] file] formats: -cif -pdb -nmrpdb -mopac -mdl -mol2 -xyz -alchemy -charmm alchemybiosymcifcharmmfdatgaussianmacromodelmdlmmdbmol2mopacnmrpdbpdbshelxxyznodisplayprofprofilenoconnectconnectinsecuresecurescriptwidthwideheighthighportsybylpdbnmrCopyright (C) Herbert J. Bernstein 1998-1999June 19992.7.1Copyright (C) Roger Sayle 1992-1999%s Version %s %s %s RasMol Molecular Renderer Roger Sayle, August 1995 *** See "help notice" for further notices *** [16-bit version] No suitable display detected! Display window disabled! -Error: File '%s' not found! Profile Error: Unable to read data file!Profile Error: No molecule filename!Database Error: %s! Number of Groups .... %d (%d) Number of Atoms ..... %ldNumber of Bridges ... %d Number of H-Bonds ... %d Number of Helices ... Number of Strands ... Number of Turns ..... Number of Bonds ..... %ld Number of Chains .... %d Experiment Technique. Database Code ....... Secondary Structure . Calculated PDB Data Records No Assignment Classification ...... Molecule name ....... Memory allocation failedToo many new residuesMOLToo many new atom types OP11OP OP22OP Number of Bonds ..... %ld Number of Bridges ... %d Number of H-Bonds ... %d Please wait... Number of Helices ... %d Number of Strands ... %d Number of Turns ..... %d HYDROGENHELIUMLITHIUMBERYLLIUMBORONCARBONNITROGENOXYGENFLUORINENEONSODIUMMAGNESIUMALUMINIUMSILICONPHOSPHORUSSULPHURCHLORINEARGONPOTASSIUMCALCIUMSCANDIUMTITANIUMVANADIUMCHROMIUMMANGANESEIRONCOBALTNICKELCOPPERZINCGALLIUMGERMANIUMARSENICSELENIUMBROMINEKRYPTONRUBIDIUMSTRONTIUMYTTRIUMZIRCONIUMNIOBIUMMOLYBDENUMTECHNETIUMRUTHENIUMRHODIUMPALLADIUMSILVERCADMIUMINDIUMTINANTIMONYTELLURIUMIODINEXENONCAESIUMBARIUMLANTHANUMCERIUMPRASEODYMIUMNEODYMIUMPROMETHIUMSAMARIUMEUROPIUMGADOLINIUMTERBIUMDYSPROSIUMHOLMIUMERBIUMTHULIUMYTTERBIUMLUTETIUMHAFNIUMTANTALUMTUNGSTENRHENIUMOSMIUMIRIDIUMPLATINUMGOLDMERCURYTHALLIUMLEADBISMUTHPOLONIUMASTATINERADONFRANCIUMRADIUMACTINIUMTHORIUMPROTACTINIUMURANIUMNEPTUNIUMPLUTONIUMAMERICIUMCURIUMBERKELIUMCALIFORNIUMEINSTEINIUMFERMIUMMENDELEVIUMNOBELIUMLAWRENCIUMAGLSVTKDINEPRFQYHCMWBZPPACGTXExpression Error: %s!SULFURPHOSPHORUSESMERCURIESCESIUMALUMINUMANTIMONIES%c%c%c%c %5d Coordinates: %9.3f %9.3f %9.3f %c%c%c%c;%c %5d Hetero: %c%c%c %3d (%c) Group: Chain: %cRasMol> Molecule file name:Image file name:PDB file name:Invalid command syntaxParameter value too largeInvalid parameter settingInvalid parameter nameFilename string expectedMolecule database loadedInteger value expectedComma separator missingClose bracket ']' expectedNo colour specifiedUnknown or incorrect colourInvalid command argumentSyntax error in expressionClose parenthesis ')' expectedScript command stack too deepOpen parenthesis '(' expectedInvalid or missing atom set nameNot enough memory to define setCommand disabled in script fileCommand invalid outside scriptMolecule database not loaded^ line %d: ! ",: ..Z.gz.zRASMOLCIFError: Unable to decompress file! Error: Unrecognised compression format! trap "" 13; gzip -cdq %s 2> /dev/null rtrap "" 13; uncompress -c %s 2> /dev/null RASMOLPDBPATHError: File '' not found! RASMOLMOLPATHRASMOLMOL2PATHRASMOLMMDBPATHRASMOLMDLPATHRASMOLXYZPATHRASMOLCIFPATHinlineScript command line too longCannot open script file '' Command Error: Insufficient memory!rasmol.hlp/usr/X11R6/lib/rasmol/Unable to find RasMol help file! No available help on requested topic! Command Error: Unable to reopen help file!Ambiguous help topic requested! String constant unterminatedString constant too longIdentifier too longInvalid floating point numberNo Atoms to Centre! Unable to copy to clipboard! Cannot open dots file 'Warning: No suitable printer! RasMol Version %sCisBondCutOff = %d (%d/%d) groups no group completely selected (%d/%d) atoms Model: %d Chain : %-3d Model: %d Space Group ...... %s Unit cell A ...... %g Unit cell B ...... %g Unit cell C ...... %g Unit cell alpha .. %g Unit cell beta ... %g Unit cell gamma .. %g No crystal symmetry data! *** RasMol script interrupted! *** Warning: Ignoring rest of command%n%r.%a%A%e%i%A%n%r:%c.%a%AUnrecognised commandIPC ErrorWarning: Remote command too long! %ld atoms selected! 1 atom selected! No atoms selected! Warning: Unable to allocate shade! Warning: No user supplied colour records! Renderer Error: Unable to allocate %s!item bufferY bucketsdepth bufferframe buffervoxel itemXYZ (%d)Atom #Torsion : %.1f Angle Distance : %.3f Rotating about Atom: %d Hetero: %d Chain: Coordinates: %9.3f %9.3f %9.3f Model: %dGroup: label%n%r:%c%n%r%c%n%r%eCN3'5'monitorError: Atom serial number not found! s %d and %dError: Duplicate atom serial numbers! dot surfacedot vector tableprobe vectorsdot vectors1 dot read from file No dots read from file! %ld dots read from file Open...Save As...CloseExitWireframeBackboneSticksSpacefillBall & StickRibbonsStrandsCartoonsMonochromeCPKShapelyGroupChainTemperatureStructureUserModelAltSlab ModeHydrogensHetero AtomsSpecularShadowsStereoLabelsGIF...PostScript...PPM...IRIS RGB...Sun Raster...BMP...PICT...About RasMol...User Manual...FileDisplayColoursOptionsExportHelpGraphics Error: %s!-*-helvetica-bold-o-normal-*-14-*-*-serf-bold-o-normal-*-14-*-*-*-bold-o-normal-*-14-*Unable to find suitable font%x %sCommInterpRegistryTK_APPLICATIONWM_DELETE_WINDOWWM_PROTOCOLSrasmol*** Fatal X11 I/O Error! ***RasMollocalhost:unix:local:MIT-SHM-s %d%x %d %x %x R %x 0 %dChdhdicichCkdkewbwckCvbvbwcwcubtFvevewfwfuetAlmlAqmqDidtJijtAjcihijjkljnhodobparbtduiuktFgfwAgmwIhlhmimllmimhlhiihCqfqgrgufvcvbubrcqKgihbsbtcvewfwgugsfqboamakbichegfghhkkEvdvdweweucsEgchbiakasbucvewAgchdiekesducvawAplpCkjuCujkCokoGkgsDgcgchdhdgdfceCokoGgfgfhghggAgmwEwcvbtbjchegigkhljltkviwewChkvDtgwggDgjgKgagaibkhojpkrktjvhwdwbvatAtbvdwhwjvktkrjphoeoHojnklkjjhhgdgbhajKlalhwhgKwawaocphpjokmkjjhhgcgahJvhwdwbvatajbhdghgjhkjkmjohpdpboanAwkwdgDwbvatarbpdohojpkrktjvhwdwDobnalajbhdghgjhkjkljnhoBhdghgjhkjktjvhwdwbvataqbodnhnjokqGififjgjgiGpfpfqgqgpDicicjdjdidhcgCpdpdqcqcpLgbolwAsisAnjnBglobwArasbucvewgwivjuktkrjphognflfjFhfgggghfhKnjlhkflenepfrhsjrkqkkljmjnkomosnumvkwewcvbuasakbichegkgAgcmhwmmogCmmmAgigkhlimklmkniokplqmslukviwawBwbgboioMilhjgegchbiakasbucvewjwlvmuAgigkhlimkmslukviwawBwbgKwawagkgAohoKwawagAohoMilhjgegchbiakasbucvewjwlvmuMgmmHmomAgawKgkwAokoAgggAwgwDgdwAmakbichegghhiikiwDwnwAgawAmkwCokgKgagawAgawhmowogAgawmgmwAkbichegigkhlimkmslukviwewcvbuasakAgawiwkvlumsmrlpkoinanAkbichegigkhlimkmslukviwewcvbuasakHlmgAgawiwkvlumsmrlpkoinanInmgAjchegigkhlimklmkncpbqasbucvewiwkvmtHghwAwowAwakbichegigkhlimkmwAwggmwAweghokgowAwkgAgkwAwfokwFgfoAwkwagkgIgdgdwiwAwmgDgigiwdwCqgwkqBglgCvdvdwcwcuesBqdrirjqkokhlgKhigdgbhajbldmimkkBichegggihjikkkmjoipgqeqcpboAwbwbgagJqhrercqbpanakbicheghgjhKiggegchbiakanbpcqerhrjqkoLgkgkwlwKiihggegchbiakanbpcqerhrjqkokmamBgdgCgcrdtfuhtirAnfnKiihggegchbiakambodphpjokmLpkpkdjbhaeacbbcAwbwbgagBncpeqhqjpknkgAgegCgcpbpCrcsbsbrcrGshshrgrgsGphphegcebdbbcaeAgbgbwawBjhpIgemAgegCgcubuAqbqbgBncpeqfqhpiniginjplqmqoppnpgAqbqbgagBncpeqhqjpknkgAkbichegggihjikkkmjoipgqeqcpboamakBichegggihjikkkmjoipgqeqcpboAqbqbaaaKiggegchbiakanbpcqerhrjqkoLpkpkdlbnaAqbqbgBncpeqhqjoAhcgggihjjikbmanbpdqhqjpAqiqEuehfghgihAqakbichegggihjikkKqkglgArfgkrAreghmkgorArkgAgkrAqakbichegggihjikkKqkdjbhaeacbbcArkragkgEgchbjblcnaocpbrbtcvewGggwAgchdjdlcneocpdrdtcvawArbtcueuftfsgrirjskuOutput Error: Unable to create file `'! wP%c %d %d 255 Output Error: Only 8-bit GIF files supported! 0123456789ABCDEF%!PS-Adobe-2.0 EPSF-2.0 %%Creator: RasMol Version %s %%%%Title: %s %%%%BoundingBox: %d %d %d %d %%Pages: 1 %%EndComments %%EndProlog %%Page: 1 1 gsave 10 dict begin %d %d translate %d %d scale /scanbuf %d string def /colorimage where { pop } { /pixbuf 3 string def /bytebuf 1 string def /colorimage { pop pop pop { currentfile pixbuf readhexstring pop pop bytebuf 0 pixbuf 0 get 20 mul pixbuf 1 get 32 mul pixbuf 2 get 12 mul add add -6 bitshift put bytebuf } image } def } ifelse %d %d %d [%d 0 0 -%d 0 %d] { currentfile scanbuf readhexstring pop } image end grestore showpage %%Trailer %%EOF false 3 color{ rledecode } /scanbuf %d string def /rlecount 0 def /rlebyte 1 string def /pixbuf %d string def /reppixel { pixbuf } def /getpixel { currentfile pixbuf readhexstring pop } def /rledecode { rlecount 0 eq { currentfile rlebyte readhexstring pop 0 get dup %d gt { /rlecount exch %d sub def /rleflag true def } { /rlecount exch def /rleflag false def } ifelse getpixel } { /rlecount rlecount 1 sub def rleflag { reppixel } { getpixel } ifelse } ifelse } def /colorimage { pop pop image } def /reppixel { bytebuf } def /getpixel { currentfile pixbuf readhexstring pop pop bytebuf 0 pixbuf 0 get 20 mul pixbuf 1 get 32 mul pixbuf 2 get 12 mul add add -6 bitshift put bytebuf 0.5 0.5 translate 90 rotate -0.5 -0.5 translate Output Error: Only 8-bit BMP files supported! %g setrgbcolor %%%% %d %d %g %g %g %d %d ClipSphere %g Shade grestore %g %g %g %d %d ClipBox %g %g %g %g %g %g ClipEllips %g %d %d Sphere [] 0 setdash %g setlinewidth %g %g %g %g Wire %d %d Wire %d %d [3 3] 0 setdash %g %g moveto %g %g lineto %d %d %g %g %g arc closepath setrgbcolor fill %g %g %g %g %g StickEnd closepath 0 setgray stroke Stick %g %g Dot 1 setlinewidth /Times-Roman findfont %d scalefont setfont %g %g %g setrgbcolor (%s) %d %d Label 0 setgray %%BeginSetup 1 setlinecap 1 setlinejoin [] 0 setdash 1 setlinewidth 0 setgray %%EndSetup 14 dict begin /handleerror { showpage } def /Inten { dup 4 index mul exch dup 4 index mul exch 3 index mul setrgbcolor } def /Dot { moveto 0 0 rlineto stroke } def /Wire { moveto lineto stroke } def /Label { moveto 1 -1 scale show mtrx setmatrix } def /Stick { closepath gsave setrgbcolor fill grestore 0 setgray stroke } def /StickEnd { matrix currentmatrix 6 1 roll translate rotate 1 scale 0 0 3 2 roll 90 -90 arc setmatrix } def /Shade { closepath gsave clip 45 rotate dup -0.81649658092 mul scale %g Inten fill 0 %g %g 0 360 arc %g Inten fill grestore 0 setgray stroke pop pop pop } def /ClipSphere { translate 0 0 5 2 roll arc } def /ClipBox { translate rotate dup lineto dup neg dup 0 rlineto 0 exch rlineto 0 rlineto closepath clip newpath mtrx setmatrix } def /ClipEllips { translate rotate 1 scale 0 0 4 2 roll dup neg arc reversepath mtrx setmatrix } def /Sphere { gsave translate 0 0 2 index 0 360 arc gsave Shade grestore 0 setgray stroke grestore } def scale /mtrx matrix currentmatrix def newpath 0 0 moveto 0 %d rlineto %d 0 rlineto 0 %d rlineto closepath clip %g %g %g setrgbcolor fill rlineto closepath 0 setgray 1 setlinewidth stroke end grestore showpage newpath Shade grestore } def pop setrgbcolor fill grestore 0 setgray stroke /Shade { closepath clip /Stick { closepath setrgbcolor fill } def Output Error: Not enough memory to create PostScript! RasMol IRIS RGB format outputOutput Error: Unable to allocate memory! redgreenbluecyanyellowmagentawhitepinkorangepurpleskybluebrowngraygoldyellowtintseagreenpinktintbluetintgreentinthotpinkScript Error: Unable to create file `require atom and in residue cpk ; set atomradius atom * %#g; ball-and-stick bonds label ""; %s from %d to %d; %s from %c%d to %c%d; ! File: %s ! Creator: RasMol Version %s ! Version: MolScript v1.3 plot background rgb %#g %#g; window %g; read mol "%s"; transform atom * by centre position atom * by rotation x 180.0 by translation %#g; coilend_plot helixstrand turn residue %d; 0.0 by rotation x %#g by rotation y %#g by rotation z %#g slab %g; select all colour %s [%d,%d,%d] colour %s none select (atomno>=%d) and (atomno<=%d) select atomno=%d select (atomno=%d) or (atomno==%d) # Atoms colour atoms cpk set shadow on set shadow off star %d spacefill %d spacefill off star off star on spacefill on atoms%s dash %s off %s on %s %d # Bonds wireframebonds # Backbone backbone # Ribbons set strands %d onoffset cartoon %s set cartoon %d trace %d ribbon2ribbon1ribbonsribbons off strands dash %d strands %d cartoon %d ribbons %d structure # Labels labels off colour labels [%d,%d,%d] set fontsize %d PS label "%s" label "%s"set fontstroke %d set fontsize %d colour labels none # Monitors set monitors %s monitor %d %d monitorsmonitors off #!rasmol -script # File: %s # Creator: RasMol Version %s zap #*** WARNING Data loaded inline not included in this script load %s %s background [%d,%d,%d] set ambient %d set specular on set specpower %d reset slab %d set slabmode solidzoom %d centre [%ld,%ld,%ld] colour axes [%d,%d,%d] set bonds %s set axes %s set boundingbox %s set unitcell %s set bondmode and dots off # Avoid Colour Problems! select all colour bonds none colour backbone none colour hbonds none colour ssbonds none colour ribbons none colour white ssbondshbondsset ssbond sidechainset hbond translate y %d translate x %d rotate x %d rotate y %d rotate z %d rejecthalfhollowsectionslab on slab off off load %s "%s" @vectorlist {} color= %s {%.4s %.3s %d} P %g %g %g {} L %g %g %g {} P %g %g %g L %g %g %g {%.4s %d}@subgroup {alpha trace} dominant off @subgroup {wireframe} dominant @balllist {} color= %s radius= %g %g %g %g @subgroup {CPK spheres} dominant @labellist {} color= %s {%s} %g %g %g @subgroup {labels} dominant @group {dot surface} dominant {} %g %g %g @dotlist {} color= %s @group {h-bonds} dominant @group {S-S bridges} dominant @group {coord axes} dominant{} P %g 0 0 {} L %g 0 0 {} P 0 %g 0 {} L 0 %g 0 {} P 0 0 %g {} L 0 0 %g @group {bound box} dominant@group {unit cell} dominant@group {S-S bridges}@subgroup {sidechain} dominant@subgroup {mainchain} dominant@group {h-bonds}@text RasMol v%s generated Kinemage @kinemage 1 @caption RasMol v%s generated Kinemage @onewidth zoom %g @group {chain %c} @group {molecule} Database Code ....... %s Classification ...... %s Molecule name ....... %s // File: %s // Creator: RasMol Version %s // Version: POV-Ray Version 2.2 #include "shapes.inc" #include "colors.inc" #include "textures.inc" // Camera camera { location <0, 0, %g> look_at <0, 0, 0> } // Light light_source {<0, 20, -100> color rgb <1, 1, 1>} // Objects object {sphere {<%g, %g, %g> %g} texture { pigment {color rgb <%g, %g, %g>} } } finish {phong 1} %.3f %.3f %.3fMaterial { diffuseColor } } Translation { translation Sphere { radius %.3f } Separator { %5d, %5d, -1, IndexedLineSet { coordIndex [ , ] } Coordinate3 { point [ PointSet { startIndex %d numPoints %d #VRML V1.0 ascii #Created by RasMol v%s DEF Viewer Info { string "examiner" } DEF Title Info { string "%s" } DEF Creator Info { string "Created by RasMol v%s" } DEF BackgroundColor Info { string "" } Separator { } # phi/psi-angles for Ramachandran-Plot # # Phi Psi %3s %c%d %#.1f %#.1f ........................................................................... %4d. ........................................................................... P - - - - - - - - - + + + + + + + + + s 1 1 1 1 1 1 1 1 1 - - - - - - - - - + + + + + + + + + 1 1 1 1 1 1 1 1 1 i 8 7 6 5 4 3 2 1 0 9 8 7 6 5 4 3 2 1 1 2 3 4 5 6 7 8 9 0 1 2 3 4 5 6 7 8 Phi 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Omega = %#.1f Psi = %#.1f Phi = %#.1f%5d.Phi 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 # Ramachandran Printer Plot # Combinations of backbone-angles # File: %s # Creator: RasMol Version %s # from Molecule: %s # Database Code: %s texture { pigment {color rgbt <%g, %g, %g, T>} finish {F} // Original image size: H = %d, W = %d // OrigCX = %ld, OrigCY = %ld, OrigCZ = %ld, Scale = %g // Camera camera { orthographic location <%g, %g, %g> look_at <%g, %g, %g> up <0, %g, 0> right <%g, 0, 0> } // Light light_source {<%g, %g, %g> color rgb <1.0, 1.0, 1.0>} background { color rgb <%g, %g, %g> } union { // Objects // union finish // change "T" to a higher value (up to 1.0, e.g. 0.8) and // uncomment "hollow" to make your object transparent #declare F = finish { specular %g roughness %g diffuse %g ambient %g } #declare T = %g #include "%s" // no_shadow // hollow matrix < %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g, %g > clipped_by{C} object { sphere { < %g , %g , %g > %g } object { cylinder {<%g, %g, %g> <%g, %g, %g> %g} union { no_shadow .pov.inc// Version: POV-Ray Version 3 // Needs objectfile "%s" // Objects for POV-Ray Version 3 InFile Error: %s!1_555 Too many COLOR records in fileError: Invalid CRYST1 CONECOMPCRYSCOLOMOL_ID:MOLECULE: ENDMENDEXPDHETAHELIHEADMODESHEESCALError: Invalid SCALE ignored TURNTERATOMdata_%ld%s %lf %lf %lf %lf %lf %lf %lf@MOLECULE@MOLECULE@ATOM@ATOM@BOND@BONDar%ld %ld %ld %s%ld %s %lf %lf %lf %s%ld %ld %ld %ld %ld%ld %ld %ldCARTESIAN COORDINATESNET ATOMIC CHARGES DIPOLE ***%lf %*d %lf %*d %lf %d %d %d %dError: Invalid MOPAC z-matrix file! 0123456789_struct_biol.details_database_2.database_code_entry.id_struct.title_chemical_name_common_exptl.method_diffrn_radiation.probe_symmetry.space_group_name_H-M_symmetry_space_group_name_H-M_cell_length_a_cell.length_a_cell_length_b_cell.length_b_cell_length_c_cell.length_c_cell_angle_alpha_cell.angle_alpha_cell_angle_beta_cell.angle_beta_cell_angle_gamma_cell.angle_gammaError: Missing or Incomplete CIF Cell Error: Invalid CIF Cell _atom_sites.fract_transf_matrix[1][1]_atom_sites.fract_transf_matrix[%i][%i]_atom_sites_fract_tran_matrix_%i%i_atom_sites.fract_transf_vector[%i]_atom_sites_fract_tran_vector_%iError: Invalid CIF fractional transformation matrix _atom_site.cartn_x_atom_site_cartn_x cartn_xatom_site_cartn_xcartn_yatom_site_cartn_ycartn_zatom_site_cartn_zfract_xatom_site_fract_xfract_yatom_site_fract_yfract_zatom_site_fract_zgroup_pdblabel_atom_idlabel_alt_idatom_site_disorder_grouplabel_comp_idlabel_asym_idauth_asym_idlabel_seq_idauth_seq_idb_iso_or_equivatom_site_b_iso_or_equivu_iso_or_equivatom_site_u_iso_or_equivtype_symbolatom_site_type_symbollabel_model_idpdb2cif_label_model_ididatom_site_label_struct_conn.id_geom_bond.atom_site_id_1_geom_bond_atom_site_label_1atom_site_id_1geom_bond_atom_site_label_1atom_site_label_alt_id_1atom_site_label_atom_id_1atom_site_label_comp_id_1atom_site_label_seq_id_1atom_site_label_asym_id_1site_symmetry_1geom_bond_site_symmetry_1atom_site_auth_atom_id_1atom_site_auth_asym_id_1atom_site_auth_comp_id_1atom_site_auth_seq_id_1atom_site_id_2geom_bond_atom_site_label_2atom_site_label_alt_id_2atom_site_label_atom_id_2atom_site_label_comp_id_2atom_site_label_seq_id_2atom_site_label_asym_id_2site_symmetry_2geom_bond_site_symmetry_2atom_site_auth_atom_id_2atom_site_auth_asym_id_2atom_site_auth_comp_id_2atom_site_auth_seq_id_2distgeom_bond_distancedist_esd_struct_sheet_range.idbeg_label_asym_idbeg_label_comp_idbeg_label_seq_idbeg_auth_asym_idbeg_auth_comp_idbeg_auth_seq_idend_label_asym_idend_label_comp_idend_label_seq_idend_auth_asym_idend_auth_comp_idend_auth_seq_idconf_type_id_struct_conf.idWarning: Null bonds in GEOM_BOND! conn_type_idptnr1_label_alt_idptnr1_label_asym_idptnr1_label_atom_idptnr1_label_comp_idptnr1_label_seq_idptnr1_label_model_idpdb2cif_ptnr1_label_model_idptnr1_atom_site_idpdb2cif_ptnr1_atom_site_idptnr1_symmetryptnr1_auth_alt_idptnr1_auth_asym_idptnr1_auth_atom_idptnr1_auth_comp_idptnr1_auth_seq_idptnr2_label_alt_idptnr2_label_asym_idptnr2_label_atom_idptnr2_label_comp_idptnr2_label_seq_idptnr2_label_model_idpdb2cif_ptnr2_label_model_idptnr2_atom_site_idpdb2cif_ptnr2_atom_site_idptnr2_symmetryptnr2_auth_alt_idptnr2_auth_asym_idptnr2_auth_atom_idptnr2_auth_comp_idptnr2_auth_seq_idWarning: Null bonds in STRUCT_CONN! _atom_site.fract_x_atom_site_fract_x_atom_sites.cartn_transf_matrix[1][1]_atom_sites.cartn_transf_matrix[%i][%i]_atom_sites_cartn_tran_matrix_%i%i_atom_sites.cartn_transf_vector[%i]_atom_sites_cartn_tran_vector_%iError: Invalid CIF Cartesian transformation matrix _atom_sites_cartn_tran_matrix_11_atom_sites_fract_tran_matrix_11_diffrn_radiation_probe_chemical_name_systematic_chemical_name_mineral_struct_biol.id_audit_block_codeHEADER %-11.11s %-10.10s TER %5d %.3s %c%4d MODEL %4d HETATM%5d %-4.4s%c%3.3s %c%4d %8.3f%8.3f%8.3f 1.00%6.2f END ENDMDL ATOM EXPDTA %.60s COMPND %.60s Error: Unable to create file! %.80s RasMol %02d%02d%02d%02d%02d%cD %3d%3d 0 0 1 V2000 M END %3d%3d 0 %10.4f%10.4f%10.4f 0 0 0 0 0 0 0 0 0 0 0 %5ld ATOMS, %5ld BONDS, 0 CHARGES, %s %5d %5d %5d AROMATIC TRIPLE DOUBLE SINGLE %5d %.4s %8.4f %8.4f %8.4f %7.4f %.3s H O2 O3 NAR N2 CAR C3 C2 %d %s %8.3f %8.3f %8.3f %6.2f IDICYCLICCHEMYIPHATICPHABIENTINOGLEGLESOMATICOMOMNOOMNUMBEROMSESISCKBONECKFADECKGROUNDSICOSYMACKUEUETINTNDNDEDNDMODENDSUNDBOXUNDINGBOXOWNRIEDRTOONRTOONSNTERNTREAINAINSARGEARGEDARGESARMMSANGLESBONDEDIPBOARDLORLORSLOURLOURSNNECTORDINATEORDINATESORDORDSANCLICSTINESHSHESTA_FINEPTHCUESPLAYSTANCESTANCESTSHOITSFEMNOEMENTNUMBERLSENTSIZENTSTROKEATUSSIANAYEENEENBLUEEENTINTEYOUPLDLFRDWAREONDONDSADERLICESLIXLPTEROLLOWTPINKURGLASSDROGENDROPHOBICENTENTIFYNSFOFORMATIONLINESIGHTPEGINEMAGEBELBELSRGEADGANDGANDSCROMODELGENTAINCHAINDIUMNUSDBDELL2LSCRIPTNITORNITORSNONOCHROMENOPSPACUSEUSEMODEGATIVEUTRALCLEICNERMALRPDBANGEIGINIPSICKCKINGCTNKNKTINTLARSITIVETENTIALVRAYVRAY2VRAY3INTOTEINRINERINESRPLERIMIDINERIMIDINESANTADIUSMACHANMACHANDRANDATAFILEMACHANDRANPRINTERPLOTMDATAMPRINTSMACSMOLSWINFDORANGEFRESHJECTNUMNUMBERSETSIDUESIDUENUMBERSIZESNOSTRICTBBONBBON1BBON2BBONSBBONS1BBONS2TATEPVERIPTAGREENCTIONLECTLECTEDQUENCEADOWADOWSAPELYEETEETSELXOWDECHAINYBLUEABABMODEALLLIDLVENTLVENTSURCEACEFILLECPOWERECULARBONDBONDSARARSEREORANDSRUCTURENRLERFACEBYLMMETRYMPERATURETLERSIONRSIONSACEANSLATEANSPARENTRNRNSPEERITCELLMLOLETCTPSTERSITEREFRAMETHINLLOWTINTDATA_LOOP_ \; Exponent overflow in numeric input Exponent underflow in numeric inputparse errorparser stack overflow-DT!@.A9RFߑ?-C6?? !??|=Z@o@ t?cܥL@f@cܥLv@@@Y@@@i@?@o@d@D@/$?-DT! 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