diff --git a/tools/sfold/.shed.yml b/tools/sfold/.shed.yml new file mode 100644 index 00000000000..4f2c3dcee9b --- /dev/null +++ b/tools/sfold/.shed.yml @@ -0,0 +1,11 @@ +name: sfold +owner: iuc +description: "Predict the probable RNA secondary structures through structure ensemble sampling" +homepage_url: https://github.com/Ding-RNA-Lab/Sfold +long_description: | + Sfold is a software package for statistical folding and rational design of nucleic acids. It provides tools for predicting + RNA secondary structures, designing antisense oligonucleotides, + and analyzing RNA folding patterns. +remote_repository_url: https://github.com/galaxyproject/tools-iuc/tree/master/tools/sfold +categories: +- RNA \ No newline at end of file diff --git a/tools/sfold/macros.xml b/tools/sfold/macros.xml new file mode 100644 index 00000000000..09f6ff24921 --- /dev/null +++ b/tools/sfold/macros.xml @@ -0,0 +1,13 @@ + + 2.2.0 + 0 + 23.0 + + sfold + + + + 10.1093/nar/gkh449 + + + diff --git a/tools/sfold/sfold.xml b/tools/sfold/sfold.xml new file mode 100644 index 00000000000..814461b7a10 --- /dev/null +++ b/tools/sfold/sfold.xml @@ -0,0 +1,335 @@ + + Prediction of RNA secondary structures through structure ensemble sampling + + macros.xml + + + + + &2 echo "this tool is only available for non commercial use"; + exit 1; + #end if + mkdir -p 'output' && + sfold '$fasta' + -a $a + #if $f: + -f '$f' + #end if + #if str($l) != '': + -l $l + #end if + #if $m: + -m '$m' + #end if + -w $w + -i $i + ]]> + + + value == True + + + + + + + + + + + + + + + + + + + + + + + + + + 'bp' in output_selector + + + + 'ct' in output_selector + + + + + 'clusters' in output_selector + + + + 'clusters' in output_selector and 'bp' in output_selector + + + + 'clusters' in output_selector and 'ct' in output_selector + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tools/sfold/test-data/cons.ct b/tools/sfold/test-data/cons.ct new file mode 100644 index 00000000000..c4b8d023566 --- /dev/null +++ b/tools/sfold/test-data/cons.ct @@ -0,0 +1,78 @@ +76 dG = -27.58 [Initially -28.90] test +1 G 0 2 72 1 +2 G 1 3 71 2 +3 G 2 4 70 3 +4 G 3 5 69 4 +5 C 4 6 68 5 +6 U 5 7 67 6 +7 A 6 8 66 7 +8 U 7 9 0 8 +9 A 8 10 0 9 +10 G 9 11 25 10 +11 C 10 12 24 11 +12 U 11 13 23 12 +13 C 12 14 22 13 +14 A 13 15 0 14 +15 G 14 16 0 15 +16 C 15 17 0 16 +17 U 16 18 0 17 +18 G 17 19 0 18 +19 G 18 20 0 19 +20 G 19 21 0 20 +21 A 20 22 0 21 +22 G 21 23 13 22 +23 A 22 24 12 23 +24 G 23 25 11 24 +25 C 24 26 10 25 +26 G 25 27 0 26 +27 C 26 28 43 27 +28 U 27 29 42 28 +29 U 28 30 41 29 +30 G 29 31 40 30 +31 C 30 32 39 31 +32 A 31 33 38 32 +33 U 32 34 37 33 +34 G 33 35 0 34 +35 G 34 36 0 35 +36 C 35 37 0 36 +37 A 36 38 33 37 +38 U 37 39 32 38 +39 G 38 40 31 39 +40 C 39 41 30 40 +41 A 40 42 29 41 +42 A 41 43 28 42 +43 G 42 44 27 43 +44 A 43 45 0 44 +45 G 44 46 0 45 +46 G 45 47 0 46 +47 U 46 48 0 47 +48 C 47 49 0 48 +49 A 48 50 65 49 +50 G 49 51 64 50 +51 C 50 52 63 51 +52 G 51 53 62 52 +53 G 52 54 61 53 +54 U 53 55 0 54 +55 U 54 56 0 55 +56 C 55 57 0 56 +57 G 56 58 0 57 +58 A 57 59 0 58 +59 U 58 60 0 59 +60 C 59 61 0 60 +61 C 60 62 53 61 +62 C 61 63 52 62 +63 G 62 64 51 63 +64 C 63 65 50 64 +65 U 64 66 49 65 +66 U 65 67 7 66 +67 A 66 68 6 67 +68 G 67 69 5 68 +69 C 68 70 4 69 +70 U 69 71 3 70 +71 C 70 72 2 71 +72 C 71 73 1 72 +73 A 72 74 0 73 +74 C 73 75 0 74 +75 C 74 76 0 75 +76 A 75 0 0 76 + diff --git a/tools/sfold/test-data/mfe.ct b/tools/sfold/test-data/mfe.ct new file mode 100644 index 00000000000..c4b8d023566 --- /dev/null +++ b/tools/sfold/test-data/mfe.ct @@ -0,0 +1,78 @@ +76 dG = -27.58 [Initially -28.90] test +1 G 0 2 72 1 +2 G 1 3 71 2 +3 G 2 4 70 3 +4 G 3 5 69 4 +5 C 4 6 68 5 +6 U 5 7 67 6 +7 A 6 8 66 7 +8 U 7 9 0 8 +9 A 8 10 0 9 +10 G 9 11 25 10 +11 C 10 12 24 11 +12 U 11 13 23 12 +13 C 12 14 22 13 +14 A 13 15 0 14 +15 G 14 16 0 15 +16 C 15 17 0 16 +17 U 16 18 0 17 +18 G 17 19 0 18 +19 G 18 20 0 19 +20 G 19 21 0 20 +21 A 20 22 0 21 +22 G 21 23 13 22 +23 A 22 24 12 23 +24 G 23 25 11 24 +25 C 24 26 10 25 +26 G 25 27 0 26 +27 C 26 28 43 27 +28 U 27 29 42 28 +29 U 28 30 41 29 +30 G 29 31 40 30 +31 C 30 32 39 31 +32 A 31 33 38 32 +33 U 32 34 37 33 +34 G 33 35 0 34 +35 G 34 36 0 35 +36 C 35 37 0 36 +37 A 36 38 33 37 +38 U 37 39 32 38 +39 G 38 40 31 39 +40 C 39 41 30 40 +41 A 40 42 29 41 +42 A 41 43 28 42 +43 G 42 44 27 43 +44 A 43 45 0 44 +45 G 44 46 0 45 +46 G 45 47 0 46 +47 U 46 48 0 47 +48 C 47 49 0 48 +49 A 48 50 65 49 +50 G 49 51 64 50 +51 C 50 52 63 51 +52 G 51 53 62 52 +53 G 52 54 61 53 +54 U 53 55 0 54 +55 U 54 56 0 55 +56 C 55 57 0 56 +57 G 56 58 0 57 +58 A 57 59 0 58 +59 U 58 60 0 59 +60 C 59 61 0 60 +61 C 60 62 53 61 +62 C 61 63 52 62 +63 G 62 64 51 63 +64 C 63 65 50 64 +65 U 64 66 49 65 +66 U 65 67 7 66 +67 A 66 68 6 67 +68 G 67 69 5 68 +69 C 68 70 4 69 +70 U 69 71 3 70 +71 C 70 72 2 71 +72 C 71 73 1 72 +73 A 72 74 0 73 +74 C 73 75 0 74 +75 C 74 76 0 75 +76 A 75 0 0 76 + diff --git a/tools/sfold/test-data/seq.fasta b/tools/sfold/test-data/seq.fasta new file mode 100644 index 00000000000..a55ab975d40 --- /dev/null +++ b/tools/sfold/test-data/seq.fasta @@ -0,0 +1,3 @@ +>gi|395400|emb|X66515|ECTRALA E.coli tRNA-Ala +GGGGCTATAGCTCAGCTGGGAGAGCGCTTGCATGGCATGCAAGAGGTCAGCGGTTCGATC +CCGCTTAGCTCCACCA \ No newline at end of file