From 5f2456fb9f1564598315130409a309cc550faef4 Mon Sep 17 00:00:00 2001 From: jh7x3 Date: Mon, 25 Jul 2016 13:15:11 -0500 Subject: [PATCH 1/5] Add scripts/dncon2casp.py to transform dncon results to casp format --- scripts/dncon2casp.py | 34 ++++++++++++++++++++++++++++++++++ 1 file changed, 34 insertions(+) create mode 100644 scripts/dncon2casp.py diff --git a/scripts/dncon2casp.py b/scripts/dncon2casp.py new file mode 100644 index 0000000..881b0bf --- /dev/null +++ b/scripts/dncon2casp.py @@ -0,0 +1,34 @@ +############################################################################ +# Author: Jie Hou, Debswapna Bhattacharya +# Date: 2016/07/25 +############################################################################ + +import sys +import os +import optparse # for option sorting +import string, re + +parser = optparse.OptionParser() +parser.add_option('--rr', dest='contact', + default = '', # default empty! + help = 'residue-residue contact file with three column format (id id weight)') + + +(options,args) = parser.parse_args() + +fasta = options.fasta + +#open the fasta file +f = open(fasta, 'r') +text = f.readlines() # read the text +f.close() # close it +# removing the trailing "\n" and any header lines +text = [line.strip() for line in text if not '>' in line] +for line in text: + print line.split( ) + +#now get ready to print it +#for i in xrange(seqlen): +# for j in xrange(seqlen): +# sys.stdout.write(str(CM[i][j]) + ' ') +# sys.stdout.write('\n') From 8f0ebfa041aed92b1067a5df86b9c9b293980de5 Mon Sep 17 00:00:00 2001 From: jh7x3 Date: Mon, 25 Jul 2016 13:15:41 -0500 Subject: [PATCH 2/5] Add scripts/init_cm.py to generate fake contact map with all confidence as 0 --- scripts/init_cm.py | 37 +++++++++++++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) create mode 100644 scripts/init_cm.py diff --git a/scripts/init_cm.py b/scripts/init_cm.py new file mode 100644 index 0000000..f2d286c --- /dev/null +++ b/scripts/init_cm.py @@ -0,0 +1,37 @@ +############################################################################ +# Author: Jie Hou, Debswapna Bhattacharya +# Date: 2016/07/25 +############################################################################ + +import sys +import os +import optparse # for option sorting +import string, re + +parser = optparse.OptionParser() +parser.add_option('--fasta', dest='fasta', + default = '', # default empty! + help = 'fasta file containing the target sequence') + + +(options,args) = parser.parse_args() + +fasta = options.fasta + +#open the fasta file +f = open(fasta, 'r') +text = f.readlines() # read the text +f.close() # close it +# removing the trailing "\n" and any header lines +text = [line.strip() for line in text if not '>' in line] +text = ''.join( text ) # combine into a single sequence +seqlen = len(text) + +# Creates a list containing lists initialized to 0 +CM = [[0 for x in range(seqlen)] for x in range(seqlen)] + +#now get ready to print it +for i in xrange(seqlen): + for j in xrange(seqlen): + sys.stdout.write(str(CM[i][j]) + ' ') + sys.stdout.write('\n') From 00d50eaa22a5ab1427c45006cfb2ed879110b840 Mon Sep 17 00:00:00 2001 From: jh7x3 Date: Mon, 25 Jul 2016 13:15:58 -0500 Subject: [PATCH 3/5] Update Manual.pdb --- Manual.pdf | Bin 154905 -> 128003 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/Manual.pdf b/Manual.pdf index 815fdf8d48512f2ae9d28634ce30c814b4655daa..20e43ddc1d83f3fd655ecd762aa2f2944eb6fd4c 100644 GIT binary patch delta 102380 zcmagF1ymeOw>CORaCe8`?(PKlpuyeU9R`O$(7_#oySoK~TX2`)?yi^QJ>Nb5dH=KS zU2CRmR`uSyx~jXY=6Uv0sjaX<`_Qo}U|eyk67-x*vX&;!+9Yfw%p}SrEL?vJR*t^~ z8~5LWo%NrBJ+9dnw?_JBIbqw_d^5t;S#2q|$#4-$Zo`Qe(GVo}FAoc=sZziyeNRl>ss8_1N*tb7_`uU(Bk&xeqe1>3jg|g8;hLIi+}w z*jI)IQABcT>3Iq5@Q?v~rHqS?5`;|rjYA+#Cv;N}D3g^(&6Cok85NC56_C4aw z30{{^YUD5*fN1s1o+q=&8v&l^!Z@ak$ctb9x2cADwPdabL%gpJX0q1Wun7(70WYb? z^2ZaZr4ix{___MUd9qI709+FjPe1 zjl*!e?frW{OaOLC(p*k})8MB5g`FRjJYlg=45;~p9dxfm 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z2*9BOU{kiUb9&CO1C-fhZB6X}oP7U2m(UjE;1CB(NpZ7-fs#Dj5+H6~b_sDXh?7%_ zgA2$d#>pf6|Du8ZzbXl<6Y%5^ZgxIlVJ!5|PL3u9HdyFxDO}SQu{a+IQGd2kdJw^zdjd=Wx;-!RnkyqslHgcQ&oBcq!k ztqT|$12SoDkwVY0Ur*Q0or_MCicYsC;uff3KOpv7`0k(b;uR#}7O2w0Dp?ilBs0>E zOCylAaL{sCF`O)k$pmkaWuw|0NL+srJT^J<+-7`Ue`=%O9)()b7lhCk$@^Nu0PVr^#n{WyO!(t9caWG7NL&R3{@m=t>h_9d z4Buu9x6nLb#tqHFjp*nX`oe~)lLV@h6upxqPjg_}uJ7?~z{)Ok76K%G7$blJU+lRd zJ^k=+{pv~CoG<*x@%;nmiuzXYplgmYh?sl_GCQvc#xk8OQG9JZG4oy6IaM6G$J%~ zR{^4FupywkD;1(EVg)V2g_Q&q4%~xBS2q^AiLLR!TU^Yc3Oa$CqlqaNI{S0;=Xw76 zuLNRG5SfAJhp=-1{)GT+|3}8f@fQZ-4*b*oKn~zPebYbbe`@@UasQ2R za{TE*AO~l{+AKUCg!?br+qq?; zS9bOU@ESax5IczTKV<(U0)hT77}wueLe#Sf40aIDe~ao?=ixJP6UI*AaUmQ$JbZuN z0}ftxzCRtv!3*O4qu~HKL7d!wIQ1Fh;rin~139_a`TnTyGX~^%w)f#b@5nzO*B?%O z#z22M6$s+t`Kw?M4=<2Cq3kz2$@8Gf^Z&(Q`M+bOunyqgqojeO)4zKwAc&Wng98hl umR3?BLG}!u;{O*CY>JL1E`WcR{jc8*Do!@f*?&Ai`X@my5YK-Tl=?rxNKsz^ From 50bc343b27679441ab016df151b85e6d8d6ac3c2 Mon Sep 17 00:00:00 2001 From: jh7x3 Date: Mon, 25 Jul 2016 13:17:45 -0500 Subject: [PATCH 4/5] Modify scripts/rr2cm.py to support multiple-format residue-residue contact file --- scripts/rr2cm.py | 46 +++++++++++++++++++++++++++++++++++----------- 1 file changed, 35 insertions(+), 11 deletions(-) diff --git a/scripts/rr2cm.py b/scripts/rr2cm.py index 8765b09..261b326 100755 --- a/scripts/rr2cm.py +++ b/scripts/rr2cm.py @@ -16,10 +16,14 @@ help = 'fasta file containing the target sequence') parser.add_option('--rr', dest='rr', default = '', # default empty! - help = 'rr file in CASP format') + help = 'residue-residue file, default in CASP format') parser.add_option('--xl', dest='xl', default = 1000000.0, # default 100000000.0 help = 'fraction of top contacts to select as a function of sequence length') +parser.add_option('--format', dest='format', + default = 5, + help = '(option) The rr file format with different column, 2-column(id id), 3-column(id id weight), 5-column(default, CASP format)') + (options,args) = parser.parse_args() @@ -27,6 +31,7 @@ fasta = options.fasta rr = options.rr xl = float(options.xl) +format = int(options.format) #open the fasta file f = open(fasta, 'r') @@ -46,16 +51,35 @@ #open the rr file r = open(rr, 'r') for line in r: - temp = re.split(" +",line) - if len(temp) == 5: - num += 1 - if num > maxnum: - continue - i = int(temp[0].strip()) - 1 - j = int(temp[1].strip()) - 1 - p = float(temp[4].strip()) - CM[i][j] = p - CM[j][i] = p + #temp = re.split(" +",line) + temp = line.split( ) + if len(temp) == format and format == 5: + num += 1 + if num > maxnum: + continue + i = int(temp[0].strip()) - 1 + j = int(temp[1].strip()) - 1 + p = float(temp[4].strip()) + CM[i][j] = p + CM[j][i] = p + elif len(temp) == format and format == 2: + num += 1 + if num > maxnum: + continue + i = int(temp[0].strip()) - 1 + j = int(temp[1].strip()) - 1 + p = 1 # assume all confidence is 1 + CM[i][j] = p + CM[j][i] = p + elif len(temp) == format and format == 3: + num += 1 + if num > maxnum: + continue + i = int(temp[0].strip()) - 1 + j = int(temp[1].strip()) - 1 + p = float(temp[2].strip()) + CM[i][j] = p + CM[j][i] = p r.close() # close it #now get ready to print it From d4ee9b3c90066ec69329cae36c034b1dd4adbe4a Mon Sep 17 00:00:00 2001 From: jh7x3 Date: Mon, 25 Jul 2016 13:18:55 -0500 Subject: [PATCH 5/5] Delete scripts/dncon2casp.pl since python version is added --- scripts/dncon2casp.pl | 27 --------------------------- 1 file changed, 27 deletions(-) delete mode 100644 scripts/dncon2casp.pl diff --git a/scripts/dncon2casp.pl b/scripts/dncon2casp.pl deleted file mode 100644 index 1d4c311..0000000 --- a/scripts/dncon2casp.pl +++ /dev/null @@ -1,27 +0,0 @@ - - -$num = @ARGV; -if($num != 2) -{ - die "The number of parameter is not correct! Para: \n"; -} - -$input = $ARGV[0]; -$output = $ARGV[1]; -open(IN,"$input") || die "Failed to open file $input\n"; -open(OUT,">$output") || die "Failed to write file $output\n"; - -while() -{ - $line =$_; - chomp $line; - @content = split(/\s+/,$line); - if(@content !=3) - { - next; - }else{ - print OUT $content[0]." ".$content[1]." 0 8 ".$content[2]."\n"; - } -} -close IN; -close OUT;

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