# HG changeset patch
# User rnateam
# Date 1494966638 14400
# Node ID 84aad99aca1fcd922781e62d29f0cd456cdc74c1
# Parent f87325531be82deb0ac3d45b6ad864d704704e7d
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/rna_tools/vienna_rna commit b'bd13ffd1c3e126a6dc59dd3c478347ec1b5824a3\n'
diff -r f87325531be8 -r 84aad99aca1f macros.xml
--- a/macros.xml Wed Dec 21 17:33:12 2016 -0500
+++ b/macros.xml Tue May 16 16:30:38 2017 -0400
@@ -2,6 +2,7 @@
viennarna
+
2.2.10
diff -r f87325531be8 -r 84aad99aca1f rnafold.xml
--- a/rnafold.xml Wed Dec 21 17:33:12 2016 -0500
+++ b/rnafold.xml Tue May 16 16:30:38 2017 -0400
@@ -1,23 +1,31 @@
-
+
Calculate minimum free energy secondary structures and partition function of RNAs
RNAfold
macros.xml
-
+
+ biopython
+
"
- echo "${input_source.input_sequence}" > "input.fasta" &&
+ echo '${input_source.input_sequence}' > "input.fasta" &&
#else
echo ">Sequence" > "input.fasta" &&
- echo "${input_source.input_sequence}" >> "input.fasta" &&
+ echo '${input_source.input_sequence}' >> "input.fasta" &&
#end if
- #end if
- RNAfold
+ #end if
+
+ #if str($constraints.shapeOption.shapeSelector) == "isUsed"
+ python '$__tool_directory__/rnafold_SHAPE.py'
+ #else
+ RNAfold
+ #end if
+
-T $temperature
--dangles=$dangling
#if $layout_type ==0
@@ -33,7 +41,7 @@
#if $measelect.pfScale <> 1.07
--pfScale=$measelect.pfScale
#end if
- #end if
+ #end if
$advancedOptions.noconversion
$advancedOptions.gquad
$advancedOptions.nolp
@@ -49,7 +57,7 @@
#end if
#if $advancedOptions.betaScale <> 1.0
--betaScale=$advancedOptions.betaScale
- #end if
+ #end if
#if $constraints.maxBPspan <> -1
--maxBPspan=$constraints.maxBPspan
#end if
@@ -69,7 +77,7 @@
--shapeMethod=$s
#else if str($constraints.shapeOption.shapeMethod.methodSelector) == "Z"
#set $s="Zb"+str($constraints.shapeOption.shapeMethod.b)
- --shapeMethod=$s
+ --shapeMethod=$s
#if str($constraints.shapeOption.shapeMethod.shapeConversion.conversionSelector) == "C"
#set $c="C"+str($constraints.shapeOption.shapeMethod.shapeConversion.c)
--shapeConversion=$c
@@ -90,8 +98,8 @@
#end if
#if $constraints.motif
--motif='$constraints.motif'
- #end if
- <
+ #end if
+ <
#if str($input_source.select_fasta) == "false"
"input.fasta"
#else
@@ -120,11 +128,11 @@
-
+
-
+
@@ -138,7 +146,7 @@
-
+
@@ -159,25 +167,25 @@
checked="false"
label="Model as circular RNA structure"
argument="--circ"/>
-
-
-
-
+
@@ -192,14 +200,14 @@
-
-
+
@@ -243,38 +251,38 @@
-
+
-
+
-
-
@@ -292,19 +300,26 @@
-
-
+
+
+
+
+
+
+
+
+
diff -r f87325531be8 -r 84aad99aca1f rnafold_SHAPE.py
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/rnafold_SHAPE.py Tue May 16 16:30:38 2017 -0400
@@ -0,0 +1,45 @@
+### overcoming the problem of SHAPE data working with a single line.
+### creating multiple multiple files containg SHAPE data for a single sequence and running RNAfold for every
+### single sequence.
+
+import os
+import sys
+from os import system
+from Bio import SeqIO
+import re
+from subprocess import Popen, PIPE
+
+params_list = sys.argv[1:]
+param_list_no_shape = [s for s in params_list if not "--shape=" in s ]
+shape_file = [s for s in params_list if "--shape=" in s ]
+assert (len(shape_file) == 1)
+
+shape_file = shape_file[0]
+shape_file = shape_file.replace('--shape=', '')
+
+params_no_shape = " ".join(str(x) for x in param_list_no_shape)
+
+pattern = re.compile("^>.*$")
+id_line = ""
+with open(shape_file, 'r') as f:
+ content = f.read()
+ lines = content.split('\n')
+ for line in lines:
+ if pattern.match(line):
+ id_line = line.split()[0]
+ id_line = id_line[1:]
+ continue
+ else:
+ with open(id_line +'.tmp', "a") as clFile:
+ clFile.write(line + "\n")
+
+input_file = sys.stdin
+
+for record in SeqIO.parse(input_file, "fasta"):
+ seq = ">{}\n{}".format(record.id,record.seq)
+ cmd = " RNAfold --shape=" + record.id + '.tmp ' + params_no_shape
+ p = Popen(cmd , stdin=PIPE, shell=True, stdout=PIPE, stderr=PIPE)
+ out,err = p.communicate(seq.encode())
+ if err:
+ raise RuntimeError("Error in calling RNAfold\n{}\n{}\n".format(out, err))
+ print (out.decode('utf-8').strip())
diff -r f87325531be8 -r 84aad99aca1f test-data/sample_3.fa
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/sample_3.fa Tue May 16 16:30:38 2017 -0400
@@ -0,0 +1,6 @@
+>SECIS_1 test
+AUUUUAUCCAUGAAAGUGUUUCCUCUAAACCUAUGUGGAGGAACACCUGAUGUCCAGGAAAAU
+>6S_1 test1
+GAAACCCUAAUGUAUUCGAUAUAGUUCCUGAUAUUUUUGAACCGAACAAUUUUUUAUACCUAGGGAGCUUGGAGUUCCGGCGCGGCGCACAUGCCUUCACACGAGGAAGUGCAAACCGUUAGACAGAGCACCCACCUGCUUUAAUUGAGAGCGGGUUCAAAGGAAGGGAAUCCUAAACGGUACGAUUGGGGUUUCU
+>6S_2
+UUGUCCCUGCCGUGCUCGUGACUUGGCCAUACAUUCUCUGAACCUAUGUCUUACGGCAUAUGGGUUGCGGGAGUGUAGAGCUGGAGUGAUCGUCUACUCGUAGACGAACCCGAUGCUCUUCGGAUCGCGACCACCUUGAACCUCAGGGUUCGAGAUGCCGGCCUUGACGGCACAGGCGGGGCAUC
diff -r f87325531be8 -r 84aad99aca1f test-data/sample_3.react
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/sample_3.react Tue May 16 16:30:38 2017 -0400
@@ -0,0 +1,447 @@
+>SECIS_1
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+192 0.093087642
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+>6S_2
+1 5.135077189
+2 0.0137794619
+3 0.0198585136
+4 0.0394762621
+5 0.1032256038
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\ No newline at end of file
diff -r f87325531be8 -r 84aad99aca1f test-data/sample_3_result.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/sample_3_result.txt Tue May 16 16:30:38 2017 -0400
@@ -0,0 +1,9 @@
+>SECIS_1
+AUUUUAUCCAUGAAAGUGUUUCCUCUAAACCUAUGUGGAGGAACACCUGAUGUCCAGGAAAAU
+.((((...(((.(..(((.((((((((........))))))))))).).))).....)))).. (-27.97)
+>6S_1
+GAAACCCUAAUGUAUUCGAUAUAGUUCCUGAUAUUUUUGAACCGAACAAUUUUUUAUACCUAGGGAGCUUGGAGUUCCGGCGCGGCGCACAUGCCUUCACACGAGGAAGUGCAAACCGUUAGACAGAGCACCCACCUGCUUUAAUUGAGAGCGGGUUCAAAGGAAGGGAAUCCUAAACGGUACGAUUGGGGUUUCU
+(((((((...(((((.((.....((((((....((((((((((...................(((.((((.....((.((((.(..((((.(.((((.....))))).))))...))))).))..)))).)))....(((((.....))))).))))))))))..))))))......)))))))....))))))). (-110.38)
+>6S_2
+UUGUCCCUGCCGUGCUCGUGACUUGGCCAUACAUUCUCUGAACCUAUGUCUUACGGCAUAUGGGUUGCGGGAGUGUAGAGCUGGAGUGAUCGUCUACUCGUAGACGAACCCGAUGCUCUUCGGAUCGCGACCACCUUGAACCUCAGGGUUCGAGAUGCCGGCCUUGACGGCACAGGCGGGGCAUC
+.((.(((((((((((.(((.(...((((...((.((((.((((((..(((....))).....((((((((...((.(((((.((.((..((((((......))))))))))...))))).))..)))))))).............))))))))))))..)))).).))))))).))))))))).. (-129.27)