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z@P@@@@p@pA A1A@AfA uAAAAB%B0   0        }   }}      }}} }F}} }}}} }}} }F     }   }}w}   }}w}}}             }   } } } }}}}}}    }} }    } } } } } }}}}}}}}}}}}} } } } } }4HB4CB444CB444BHB CAB ALAACYSCASPDGLUEPHEFGLYGHISHILEILYSKLEULMETMASNNPROPGLNQARGRSERSTHRTVALVTRPWTYRYASXBGLXZUNKXresults-p Path to the directory holding the (PDB) structures to be aligned.-i ...Input structures to be aligned. Note: if -p option is used in the command line, supply only the file names of the structures; if not give the absolute/relative path of each of the input structures.-f This option is used to AVOID entering the path (-p) and file name (-i) details in the command line. Instead, to keep the command line short, the user can enter the path and file name details in a "description" file and supply it in the command line. The format of the "description file" is given in 'README.txt'. Note: the options { -p , -i} and {-f} are mutually exclusive.-o A common identifier for various outputs of the program. Appropriate extentions (e.g. .html, .pdb, .msf) will be added to this identifier depending on the options the user specifies in the command line. DEFAULT output identifier: 'results'-F one or more of { }Alignment output format. The choices are: 'html', 'fasta', 'pir', 'msf'. DEFAULT format: 'html'-D [CA-CA diameter]Produce an HTML file where the the residues are reported in lower case with grey background when the aligned(superposed) CA-CA diamter of residues in a column of alignment is > the CA-CA diameter threshold.-s [/]Generate a PDB file containing optimal superposition of all the structures based on the alignment. DEFAULT: 'ON'--helpdisplay this help and exits.--versionoutput version information and exits.1,?j?ο$ֿ@@?َ@??5@J @-?@ff5^AH@O=n&A &@$>A" ;OUA!?9mA& @$fApݿ33?AIOAFs>L7AI ?@ A~R>AAף@j?-A~j@uAB`?5^?NbAp?ڿCA5^?9?BI?BP7Z mB@shѾNbBʡ=t@IB!F6 BmCB`吿I?+KB/ܿyRB?= >ZBuE?ZdbBA"jB?p>BqB;ߟw?yB~ SB?S>͌By馿?kBJBX9??y)B-J ?BL7ɾ'1mBG?K?%ƛBX9H?`BТB?x)?ff@ff@33A337AhA33A33A33AA33ABB33"Bl@33@l@@33@l@̬@@33@p@= @q=A= OAq=A33AµAA)\A)\BzBq=B)\(B5B33BBNB= \B hBuBp@@ף@@zAAH&AHBApaAffrA\AA(A̦AףA= AAAHA{A(ABff B)\BpB\B33!B&Bq=,B\2B8B{>BHCBpJBGPBףUB[B33bBRgBQmBRsByBq=B{BDžBBpB=BZBACDEFGHIKLMNPQRSTVWY 15 72 -72 0.8 0.08 0.24 0.25 0.41 0.88 0.53 0 0.53 0.33 0.42 0.19 0 0 0 RedAVFPMILWBlueDEMagentaRKGreenSTYHCNGQRedAVFPMILWBlueDEMagentaRKGreenSTYHCNGQFAF\FlFpFtFyF}FFFFFFFFFF/mnt/EXTRA_STORAGE/MUSTANG_v.2/mustang: Unable to associate the argument 'Try 'mustang --help' for more information. ' with any valid option! CmdLine OptionArguments Description ----------------------- ----------- -p-i-fmustang: Cannot use one or both of the -p or -i options in conjunction with -f option : Use either one or both of the -p or -i options or just the -f option :: invalid option: MUSTANG v.3 Command Line error! Error opening infile:mustang: unable to find enough structures in the info file: . Are you using the right format??? GAD SAVE ME!!! Error Opening File:--versionmustang: --version option does not take any arguments. --helpmustang: --help option does not take any arguments. -sonoff-D-Fhtml-opsfastapirmsf%fmustang: -D option takes either no or just one argument. mustang: '' is an invalid argument for the -F option. : 'html', 'ps', 'fasta', 'pir', 'msf' are the only valid arguments. mustang: -o option takes exactly one argument. mustang: -i option takes atleast 2 arguments. mustang: -F option takes exactly one arguments. mustang: -f option takes exactly one argument. mustang: -s option takes exactly one argument. mustang: -p option takes exactly one argument. mustang: "ON" or "OFF" are the only valid arguments for the -s option. >@:@:@=@B<@9@@8@7@d7@mustang: Impossible to proceed without input structures! %dCalculating Distance Matrices... [ OK ] @@() ||< --) >|| - NONE ----- - LHELIX - NONE - STRAND - ESHEET - ALPHA-HELIX - CIS-PEPTIDE e@f@e@e@e@e@e@Can't Proceed. One or more input structures is unreabadle Can't Proceed. The structure: only the chain of interest If you are interested in more that one chain contains more than one chain. At this moment this program requires the input pdb structures to contain just one chain. Hint! Edit the structure file by retaining edit the input file such that you append all the interested chains together by eliminating the TER lines between them. Warning: these appended chains will be treated as contiguous. Pairwise Comparisons: of  [ OK ] ?? Error in opening the PDB:%s%fParsing the PDB file:  (....contains  residues.) [ OK ] Pdb File Error: Structure does not exist in the path specified. h㈵>????A???L@ ---------------- ---------------- ?333333??>??ffffff???333333??@?B A@@Error! Impossible...this just can't be! ?@@OG?too many iterations in jacobi?=????9RFߑ???cܥL@??in00.datin01.dat Invoking Fortran..... ./super Back to C++...... Writing output to file.... out00.dat Done. Extending Edge-Weights thro' intermediate structures... [ OK ] zD------- #t???#t?(knN: ?Final Alignment using the extended weights... [ OK ] Tree_status: ============================================ Similarity Matrix based on Global pairwise weighted bipartite matching scores: Tranformation into Distance Matrix(from Similarity) for guide tree construction: ----HOLLER!!! Could not find substitution matrix; needed to build a guide tree! K?K **************BEFORE Raw_Dist_Mat ***************** Current Node LIST : Tree_status: AFTER--- Changed_Dist_Mat ? **************BEFORE Raw_Dist_Mat ***************** Current Node LIST : Tree_status: AFTER--- Changed_Dist_Mat CA ? REMARK Produced by MUSTANG v.3 REMARK Authors: A S Konagurthu, J C Whisstock, P J Stuckey, and A M Lesk REMARK REMARK Structures: REMARK REMARK REMARK All structures were superposed on the coordinate frame of: ATOM TER END Superposing structures on the core: [ FAILED ] Too few matched columns to superpose on! Superposing structures on the core:[ OK ] No matched columns to superpose on! Hz>?Too few structures to superpose: NSTRUCTS = ?-C6??/Courier-Bold findfont 10 scalefont setfont /Courier findfont 10 scalefont setfont setrgbcolor) show ( mul sub moveto Output alignment in postscript Error opening outfile:%!PS-Adobe- %%Creator: MUSTANG v.3 %%CreationDate: %%EndComments 90 rotate ###################################################################MUSTANG v.3: A Multiple structural alignment algorithmA. S. Konagurthu, A. M. Lesk, J. C. Whisstock, and P. J. Stuckey#====================================%d# %3d:%10d%8d%3d%5.1f%\) \(Percentage of conserved columns.\)%6d\) \(Percentage of conserved and semi-conserved columns.\)%12d\) \(Percentage of columns with atleast one gap.\)=================================================================== showpage 90 rotate %-10s%c%5d%16s#================================EOF================================= showpage [ OK ] %5d %5s %5sOutput alignment in html:
################################################################################################
# Program: MUSTANG v.3: A  Multiple structural alignment algorithm
# Authors: A. S. Konagurthu, J. C. Whisstock, and P. J. Stuckey,  A. M. Lesk
# Rundate: # Report_file: 
#====================================
# Aligned_structures: 
# : ## Length: # Identity: / (%)  (Calculated as the percentage of conserved columns in the alignment.)# Similarity: /%)  (Calculated as the percentage of semi-conserved columns in the alignment)# Gaps: /%)  (Calculated as the percentage of columns with atleast one gap.)
#===========================================ALIGNMENT START=========================================



#=========================================ALIGNMENT END=============================================
#LEGEND:
#
# Colours indicate the chemical nature of the amino acid;
# Red         = small hydrophobic including aromatic,{A,F,I,L,M,P,V,W}
# Blue        = Acidic,{D,E}
# Magenta     = Basic,{K,R} and
# Green       = Basic amino acids with hydroxyl groups and/or amine groups {C,G,H,N,Q,S,T,Y}.
#
# Residues in the alignment that are  shown in lower case with grey background   are those whose aligned
# CA-CA distances w.r.t. other members in their column of alignment are above the specified threshold.
#
# The "markup row" below each stretch of the multiple alignment is used to mark completely conserved
# residue (denoted in UPPERCASE) and semi-conserved reside ( denoted in lowercase) in a column of the alignment.
#
################################################EOF#################################################


"style="BACKGROUND-COLOR: #C4C4C4">Output alignment in msf: MSF of: from: 1 to: MSF: Type: P Check: 9999 ..Name: Len: Check: 9999 Weight: 1.00 // .Output alignment in fasta:>Output alignment in pir: >P1;*  MUSTANG (v.3): A MUltiple STuructural AligNment alGorithm.  Authors:  A S Konagurthu, J Whisstock, and P J Stuckey, A M Lesk. (Mis)Coding:  A S Konagurthu.   All Done! Thank you for using MUSTANG. Running Time : s.zDParsing the Command Line...CMD-LINE ARG ERROR: File- does not exist! [ OK ] Wrong Command Line syntax! 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