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Fast contact map threading for fold recognition
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psipred/eigenthreader
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Compile: cc -O3 eigencontact_fread_threader.c -lm -o eigenthreader cc -O3 strsum_eigen.c -lm -o strsum_eigen Typical command line (similar to GenTHREADER): eigenthreader -c12 -C0 -t20 -z1250 -m$target -Fss2files/$target.ss2 seqfiles/$target.fasta confiles/$target.con $target.out scop.lst -c12 = contact distance 12A (something to benchmark perhaps?) -t20 = 20 eigenvectors considered (something to benchmark in the paper i.e. try from 1 to n eigenvectors) -C0 = minimum contact alignment score required to generate alignment/model -z1250 = scaling of eigenvectors (again something to play with but I think this is a reasonable value) $target.ss2 is standard PSIPRED output file $target.con is MetaPSICOV output file (CASP RR format) (see confiles.tar.gz for PSICOV150 benchmark files) -m will produce PDB file output based on alignments (as with GenTHREADER) -p will output alignment on stdout scop.lst is the fold library list as with GenTHREADER etc. Also see example.csh. Example to generate paired TDB and eigen file (outputs): strsum_eigen 1jbeA.pdb 1jbeA.dssp $TDB_DIR/1jbeA.tdb $TDB_DIR/1jbeA.eig (Env variable TDB_DIR specifies directory for fold library) Output: eigenthreader output file format. Columns are 1) Estimated probability 2) T-score 3) Alignment length 4) Percentage coverage query 5) Percentage coverage hit 6) Match name
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