Builds Directed Enzyme-Enzyme Network with Removing Currency Metabolites (based-on a Library file) which could be used as an input for Kavosh Algorithm. %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% The function reads a Metabolic Network SBML file and builds an Directed Enzyme-Enzyme Network which is compatible with Kavosh Algorithm. For every metabolite, the algorithm checks availability in the Library file which has been prepared by user as input in .txt format). and removes if it exists in the library file. Then the Directed Enzyme-Enzyme Network will be created. The Kavosh is one of the best motif finding algorithms. Its Cytoscape plugins is also called CytoKavosh. http://lbb.ut.ac.ir/Download/LBBsoft/Kavosh/ & http://www.ncbi.nlm.nih.gov/pubmed/19799800 http://lbb.ut.ac.ir/Download/LBBsoft/CytoKavosh/CytoKavosh-Manual/cytoKavoshTutorial.html So, one could easily use this algorithm in order to find motifs in different sizes for the metabolic network. Note: COBRA Toolbox must be installed in MATLAB before running this function [Output] = enz_cent_Lib_dir_kavosh(fileName1,fileName2) INPUTS fileName1 The Library file includes pre-defined currency metabolites (in .txt format) Note: Library text file must include one metabolites per line (all in one column) fileName2 The metabolic Network in the SBML format OUTPUTS *_Enzyme_Cent_Lib_Dir_Index.dat Matrix Indeces of Enzyme-Enzyme Connections *_Enzyme_Cent_Lib_Dir_Kavosh.dat Directed-Enzyme-Enzyme Network - QuateXelero Compatible Yazdan Asgari 12/07/2012 http://lbb.ut.ac.ir %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
0001 function [Output] = enz_cent_Lib_dir_kavosh(fileName1,fileName2) 0002 % Builds Directed Enzyme-Enzyme Network with Removing Currency Metabolites (based-on a Library file) which could be used as an input for Kavosh Algorithm. 0003 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0004 % The function reads a Metabolic Network SBML file and builds an Directed Enzyme-Enzyme Network which is compatible with Kavosh Algorithm. 0005 % For every metabolite, the algorithm checks availability in the Library file which has been prepared by user as input in .txt format). 0006 % and removes if it exists in the library file. Then the Directed Enzyme-Enzyme Network will be created. 0007 % The Kavosh is one of the best motif finding algorithms. Its Cytoscape plugins is also called CytoKavosh. 0008 % http://lbb.ut.ac.ir/Download/LBBsoft/Kavosh/ & http://www.ncbi.nlm.nih.gov/pubmed/19799800 0009 % http://lbb.ut.ac.ir/Download/LBBsoft/CytoKavosh/CytoKavosh-Manual/cytoKavoshTutorial.html 0010 % So, one could easily use this algorithm in order to find motifs in different sizes for the metabolic network. 0011 % Note: COBRA Toolbox must be installed in MATLAB before running this function 0012 % 0013 % [Output] = enz_cent_Lib_dir_kavosh(fileName1,fileName2) 0014 % 0015 %INPUTS 0016 % fileName1 The Library file includes pre-defined currency metabolites (in .txt format) 0017 % Note: Library text file must include one metabolites per line (all in one column) 0018 % fileName2 The metabolic Network in the SBML format 0019 % 0020 %OUTPUTS 0021 % *_Enzyme_Cent_Lib_Dir_Index.dat Matrix Indeces of Enzyme-Enzyme Connections 0022 % *_Enzyme_Cent_Lib_Dir_Kavosh.dat Directed-Enzyme-Enzyme Network - QuateXelero Compatible 0023 % 0024 % Yazdan Asgari 12/07/2012 http://lbb.ut.ac.ir 0025 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0026 0027 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0028 % check validity of input files format 0029 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0030 check1=regexp(fileName1,'.txt'); 0031 assert(~isempty(check1),'Error in the first input: The fileName1 must contain .txt at its end') 0032 check2=regexp(fileName2,'.xml'); 0033 assert(~isempty(check2),'Error in the second input: The fileName2 must contain .xml at its end') 0034 0035 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0036 % start time evaluation of program 0037 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0038 tic; 0039 0040 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0041 % reading the Library text file and construct array of currency metabolites 0042 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0043 fid = fopen(fileName1); 0044 tline = fgetl(fid); 0045 i=1; 0046 Curr_met={}; 0047 while ischar(tline) 0048 Curr_met{i,1}=tline; 0049 tline = fgetl(fid); 0050 i=i+1; 0051 end 0052 fclose(fid); 0053 [h,g]=size(Curr_met); 0054 0055 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0056 % reading the SBML file using COBRA Toolbox Command, and sets size of the S matrix 0057 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0058 model=readCbModel(fileName2); 0059 [m,n]=size(model.S); 0060 0061 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0062 % reading the Metabolites array and check their availability in the library text file 0063 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0064 N_curr=zeros(m,1); 0065 for q=1:m 0066 for i=1:h 0067 if strcmp(model.metNames{q},Curr_met{i,1})==1 0068 N_curr(q,1)=N_curr(q,1)+1; 0069 end 0070 end 0071 end 0072 0073 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0074 % Remove metabolites which are in the input Currecny Metabolites list 0075 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0076 for q=1:m 0077 if N_curr(q,1)~=0 0078 for i=1:n 0079 model.S(q,i)=0; 0080 end 0081 end 0082 end 0083 0084 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0085 % building the output file name 0086 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0087 outname1=strrep(fileName2,'.xml','_Enzyme_Cent_Lib_Dir_Index.dat') 0088 fout1 = fopen(outname1, 'w+'); 0089 0090 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0091 % finds non-zero elements of the S-matrix (in order to make the algorithm faster), 0092 % parses through each row, and considers an edge for every unlike-signs, 0093 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0094 num=zeros(size(model.rxns)); 0095 for j=1:m 0096 indices=find(model.S(j,:)); 0097 [a,b]=size(indices); 0098 r=0; 0099 if b~=0 0100 r=1; 0101 end 0102 while r<b 0103 i=1; 0104 while i<(b-r+1) 0105 if model.S(j,indices(1,r))<0 && model.S(j,indices(1,r+i))>0 0106 fprintf(fout1,'%d\t%d\n',indices(1,r),indices(1,r+i)); 0107 num(1,indices(1,r))=1; 0108 num(1,indices(1,r+i))=1; 0109 elseif model.S(j,indices(1,r))>0 && model.S(j,indices(1,r+i))<0 0110 fprintf(fout1,'%d\t%d\n',indices(1,r+i),indices(1,r)); 0111 num(1,indices(1,r))=1; 0112 num(1,indices(1,r+i))=1; 0113 end 0114 i=i+1; 0115 end 0116 r=r+1; 0117 end 0118 end 0119 0120 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0121 % considering nodes which do not contain any edges 0122 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0123 for k=1:n 0124 if num(k,1)==0 0125 fprintf(fout1,'%d\n',k); 0126 end 0127 end 0128 fclose(fout1); 0129 0130 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0131 % building the output file name 0132 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0133 outname2=strrep(fileName2,'.xml','_Enzyme_Cent_Lib_Dir_Kavosh.dat') 0134 fout2=fopen(outname2,'w+'); 0135 0136 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0137 % reading the constructed Enzyme-Enzyme network file and re-format it to a Kavosh-compatible file. 0138 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0139 fid = fopen(outname1); 0140 fgetl(fid); 0141 C=fscanf(fid,'%d'); 0142 i=1; 0143 while isinteger(fid) 0144 C(i)=fscanf(fid,'%d',C); 0145 i=i+1; 0146 end 0147 g=size(C); 0148 A=size(unique(C)); 0149 if g~=0 0150 n=1; 0151 else 0152 disp('Error in reading the file, No Edge detected') 0153 end 0154 k=1; 0155 j=2; 0156 last=g/2; 0157 fprintf(fout2,'%d\n',A(1,1)); % total number of uniques nodes in the network (needed for Kavosh Algorithm) 0158 for i=1:last 0159 fprintf(fout2,'%d\t%d\n ',C(k),C(j)); 0160 k=k+2; 0161 j=j+2; 0162 end 0163 fclose(fid); 0164 fclose(fout2); 0165 0166 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0167 % End of time evaluation of program 0168 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 0169 toc;