-만약 $BASH_ARGV에 해당하는 폴더가 있는 경우 삭제하고 다시 만들고, 수행에 필요한 파일들을 /home/soongsil/jobcdd에서 복사해오는 부분
cd /data/soongsil/clust_$BASH_ARGV/ tar xf $BASH_ARGV for M in `ls /data/soongsil/clust_$BASH_ARGV/*.seq`;do ./clustalw2 -INFILE=$M -ALIGN -TYPE=PROTEIN -OUTFILE=${M%.*}.aln -OUTPUT=CLUSTAL -MATRIX=GONNET; done > temp.txt
clustalw2수행하는 부분
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.aln`;do /home/soongsil/hmmer/src/hmmbuild --informat CLUSTAL ${M%.*}.hmm $M; done > temp.txt
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.hmm`;do /home/soongsil/hmmer/src/hmmcalibrate $M; done > temp.txt
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.hmm`;do /home/soongsil/hmmer/src/hmmalign --informat FASTA --outformat MSF -o ${M%.*}.msf $M ${M%.*}.seq; done > temp.txt
hmmer 수행하는 부분
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.msf`;do /home/soongsil/EMBOSS-6.0.1/emboss/distmat -protmethod 0 -outfile ${M%.*}.Unco.dist ;done > temp.txt
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.msf`;do /home/soongsil/EMBOSS-6.0.1/emboss/distmat -protmethod 1 -outfile ${M%.*}.Jukes.dist ;done > temp.txt
for M in `ls /data/soongsil/clust_$BASH_ARGV/*.msf`;do /home/soongsil/EMBOSS-6.0.1/emboss/distmat -protmethod 2 -outfile ${M%.*}.Kimura.dist ;done > temp.txt
EMBOSS중 distmat 수행하는 부분
cd /data/soongsil/clust_$BASH_ARGV/ tar cf ${BASH_ARGV%.*}.clust.tar *.aln *.dist *.msf gzip ${BASH_ARGV%.*}.clust.tar cp -f ${BASH_ARGV%.*}.clust.tar.gz $H rm -rf /data/soongsil/clust_$BASH_ARGV
-INFILE=file.ext :input sequences. -PROFILE1=file.ext and -PROFILE2=file.ext :profiles (old alignment).
VERBS (do things)
-OPTIONS :list the command line parameters -HELP or -CHECK :outline the command line params. -FULLHELP :output full help content. -ALIGN :do full multiple alignment. -TREE :calculate NJ tree. -BOOTSTRAP(=n) :bootstrap a NJ tree (n= number of bootstraps; def. = 1000). -CONVERT :output the input sequences in a different file format.
PARAMETERS (set things)
***General settings:**** -INTERACTIVE :read command line, then enter normal interactive menus -QUICKTREE :use FAST algorithm for the alignment guide tree -TYPE= :PROTEIN or DNA sequences -NEGATIVE :protein alignment with negative values in matrix -OUTFILE= :sequence alignment file name -OUTPUT= :GCG, GDE, PHYLIP, PIR or NEXUS -OUTORDER= :INPUT or ALIGNED -CASE :LOWER or UPPER (for GDE output only) -SEQNOS= :OFF or ON (for Clustal output only) -SEQNO_RANGE=:OFF or ON (NEW: for all output formats) -RANGE=m,n :sequence range to write starting m to m+n -MAXSEQLEN=n :maximum allowed input sequence length -QUIET :Reduce console output to minimum -STATS= :Log some alignents statistics to file
***Fast Pairwise Alignments:*** -KTUPLE=n :word size -TOPDIAGS=n :number of best diags. -WINDOW=n :window around best diags. -PAIRGAP=n :gap penalty -SCORE :PERCENT or ABSOLUTE
***Slow Pairwise Alignments:*** -PWMATRIX= :Protein weight matrix=BLOSUM, PAM, GONNET, ID or filename -PWDNAMATRIX= :DNA weight matrix=IUB, CLUSTALW or filename -PWGAPOPEN=f :gap opening penalty -PWGAPEXT=f :gap opening penalty
***Multiple Alignments:*** -NEWTREE= :file for new guide tree -USETREE= :file for old guide tree -MATRIX= :Protein weight matrix=BLOSUM, PAM, GONNET, ID or filename -DNAMATRIX= :DNA weight matrix=IUB, CLUSTALW or filename -GAPOPEN=f :gap opening penalty -GAPEXT=f :gap extension penalty -ENDGAPS :no end gap separation pen. -GAPDIST=n :gap separation pen. range -NOPGAP :residue-specific gaps off -NOHGAP :hydrophilic gaps off -HGAPRESIDUES= :list hydrophilic res. -MAXDIV=n :% ident. for delay -TYPE= :PROTEIN or DNA -TRANSWEIGHT=f :transitions weighting -ITERATION= :NONE or TREE or ALIGNMENT -NUMITER=n :maximum number of iterations to perform -NOWEIGHTS :disable sequence weighting
***Profile Alignments:*** -PROFILE :Merge two alignments by profile alignment -NEWTREE1= :file for new guide tree for profile1 -NEWTREE2= :file for new guide tree for profile2 -USETREE1= :file for old guide tree for profile1 -USETREE2= :file for old guide tree for profile2
***Sequence to Profile Alignments:*** -SEQUENCES :Sequentially add profile2 sequences to profile1 alignment -NEWTREE= :file for new guide tree -USETREE= :file for old guide tree
***Structure Alignments:*** -NOSECSTR1 :do not use secondary structure-gap penalty mask for profile 1 -NOSECSTR2 :do not use secondary structure-gap penalty mask for profile 2 -SECSTROUT=STRUCTURE or MASK or BOTH or NONE :output in alignment file -HELIXGAP=n :gap penalty for helix core residues -STRANDGAP=n :gap penalty for strand core residues -LOOPGAP=n :gap penalty for loop regions -TERMINALGAP=n :gap penalty for structure termini -HELIXENDIN=n :number of residues inside helix to be treated as terminal -HELIXENDOUT=n :number of residues outside helix to be treated as terminal -STRANDENDIN=n :number of residues inside strand to be treated as terminal -STRANDENDOUT=n:number of residues outside strand to be treated as terminal
***Trees:*** -OUTPUTTREE=nj OR phylip OR dist OR nexus -SEED=n :seed number for bootstraps. -KIMURA :use Kimura's correction. -TOSSGAPS :ignore positions with gaps. -BOOTLABELS=node OR branch :position of bootstrap values in tree display -CLUSTERING= :NJ or UPGMA