# HG changeset patch
# User bgruening
# Date 1396519652 14400
# Node ID 0b732f3cfad05c0b201c2bcfc56af8b919a4c70f
# Parent de242914a56a5f80d4c2d888cab0194559b634ac
Uploaded
diff -r de242914a56a -r 0b732f3cfad0 MiClip.xml
--- a/MiClip.xml Wed Mar 05 02:24:52 2014 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
@@ -1,89 +0,0 @@
-
- Identify Binding Sites in CLIP-Seq Data
-
- Rscript
- R_3_0_1
- miclip
- perl
- MICLIP_SCRIPT_PATH
-
-
- MiClip_wrapper.sh $input_file $control_file $mutation $paired $suffix $step $maxbin $model_cut $max_iter $convergence $emperical $output
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-**Description**
-
-Cross-linking immunoprecipitation coupled with high-throughput sequencing (CLIP-Seq) has made it possible to identify targeting sites of RNA-binding proteins in various cell culture systems and tissue types on a genome-wide scale. Here we present MiClip,a novel model-based approach to identify high-confidence protein-RNA binding sites in CLIP-Seq datasets. This approach assigns confidence value to each binding site on a probabilistic basis. The MiClip package can be flexibly applied to analyze both HITS-CLIP data and PAR-CLIP data.
-
-
-------
-
-**Manual**
-GalaxyManual_
-
-.. _GalaxyManual: http://galaxy.swmed.edu/galaxy/static/galaxy_manual.pdf
-
-MiniClipDemo_
-
-.. _MiniClipDemo: http://galaxy.swmed.edu/galaxy/u/tpers1/p/miniclipwalkthrough
-
-Vignette.pdf_
-
-.. _Vignette.pdf: http://galaxy.swmed.edu/galaxy/static/MiClip_vignette.pdf
-
-Manual.pdf_
-
-.. _Manual.pdf: http://galaxy.swmed.edu/galaxy/static/MiClip-manual.pdf
-
-
-------
-
-**Source**
-
-MiClip_R_Package_
-
-.. _MiClip_R_Package: http://galaxy.swmed.edu/galaxy/static/MiClip.tar.gz
-
-------
-
-**Author**
-
-Tao Wang.
-For any suggestions or inquiries please contact Tao.Wang@UTSouthwestern.edu
-
-
-
-
diff -r de242914a56a -r 0b732f3cfad0 MiClip_wrapper.sh
--- a/MiClip_wrapper.sh Wed Mar 05 02:24:52 2014 -0500
+++ /dev/null Thu Jan 01 00:00:00 1970 +0000
@@ -1,10 +0,0 @@
-R --vanilla --slave --args $1 $2 $3 $4 $5 $6 $7 $8 $9 ${10} ${11} < /HOME/galaxy/galaxy-dist/tools/MiClip/MiClip.R > dump
-if [ -f ${__tool_data_path__}clusters.csv ]
- then
- zip temp ${__tool_data_path__}log.txt
- zip temp ${__tool_data_path__}*.csv
- mv ${__tool_data_path__}temp.zip ${12}
- else
- cat dump >&2
-fi
-
diff -r de242914a56a -r 0b732f3cfad0 osra.py
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/osra.py Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,27 @@
+#!usr/bin/env python
+
+import os, sys
+import subprocess
+
+"""
+ OSRA_DATA_FILES is set during the toolshed Installation
+ If it is not set, use the standard configuration of OSRA.
+ That means we need to delete argument 4-7.
+ That script is a hack, because we do not know the content of OSRA_DATA_FILES at xml evaluation time.
+
+ osra -f $oformat $infile
+ -l \$OSRA_DATA_FILES/spelling.txt -a \$OSRA_DATA_FILES/superatom.txt
+ > $outfile
+"""
+
+if not os.path.exists(sys.argv[7]):
+ # OSRA_DATA_FILES path is not set or the spelling file is not existent
+ sys.argv.pop(7) # superatom.txt path
+ sys.argv.pop(6) # -a
+ sys.argv.pop(5) # speling.txt path
+ sys.argv.pop(4) # -l
+
+sys.argv[0] = 'osra'
+subprocess.call(sys.argv, stdout=sys.stdout)
+
+
diff -r de242914a56a -r 0b732f3cfad0 osra.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/osra.xml Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,74 @@
+
+ in Images or PDF documents (OSRA)
+
+ osra
+ openbabel
+ graphicsmagick
+
+
+ ## OSRA_DATA_FILES is set during the toolshed Installation
+ ## if it is not set, use the standard configuration and hope the best
+ osra.py -f $oformat $infile
+ -l \$OSRA_DATA_FILES/spelling.txt -a \$OSRA_DATA_FILES/superatom.txt
+
+ ## further additions of OSRA parameter should go after -l and -a
+ ## because -l and -a can be removed by the python wrapper
+
+ $confidence
+ $adaptive
+ $thinning
+
+ > $outfile
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+.. class:: infomark
+
+**What this tool does**
+
+OSRA_ (Optical Structure Recognition Application) is a utility designed to convert graphical representations of chemical structures into SMILES or SDF. It generates the SMILES or SDF representation of any molecular structure image within a document which is parseable by GraphicMagick.
+
+.. _OSRA: http://cactus.nci.nih.gov/osra/
+
+-----
+
+.. class:: infomark
+
+**Cite**
+
+Igor V Filippov and Marc C Nicklaus - `Optical Structure Recognition Software To Recover Chemical Information: OSRA, An Open Source Solution`_
+
+.. _`Optical Structure Recognition Software To Recover Chemical Information: OSRA, An Open Source Solution`: http://pubs.acs.org/doi/abs/10.1021/ci800067r
+
+
diff -r de242914a56a -r 0b732f3cfad0 readme
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/readme Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,20 @@
+OSRA: Optical Structure Recognition Application
+
+OSRA is a utility designed to convert graphical representations of chemical
+structures, as they appear in journal articles, patent documents, textbooks,
+trade magazines etc., into SMILES (Simplified Molecular Input Line Entry
+Specification - see http://en.wikipedia.org/wiki/SMILES) or
+SD files - a computer recognizable molecular structure format.
+OSRA can read a document in any of the over 90 graphical formats parseable by
+ImageMagick - including GIF, JPEG, PNG, TIFF, PDF, PS etc., and generate
+the SMILES or SDF representation of the molecular structure images encountered
+within that document.
+
+Note that any software designed for optical recognition is unlikely to be
+perfect, and the output produced might, and probably will, contain errors,
+so curation by a human knowledgeable in chemical structures is highly recommended.
+
+http://cactus.nci.nih.gov/osra/
+
+The wrapper comes with an automatic installation of all dependencies through the
+galaxy toolshed.
diff -r de242914a56a -r 0b732f3cfad0 repository_dependencies.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/repository_dependencies.xml Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,4 @@
+
+
+
+
diff -r de242914a56a -r 0b732f3cfad0 test_data/2008001635_153_chem.png
Binary file test_data/2008001635_153_chem.png has changed
diff -r de242914a56a -r 0b732f3cfad0 test_data/2008001635_153_chem.smi
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test_data/2008001635_153_chem.smi Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,1 @@
+CCC(c1ccc(cc1)Br)OCCCO
diff -r de242914a56a -r 0b732f3cfad0 test_data/CID_2244.png
Binary file test_data/CID_2244.png has changed
diff -r de242914a56a -r 0b732f3cfad0 test_data/CID_2244.sdf
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test_data/CID_2244.sdf Thu Apr 03 06:07:32 2014 -0400
@@ -0,0 +1,155 @@
+2244
+ -OEChem-05151212332D
+
+ 21 21 0 0 0 0 0 0 0999 V2000
+ 3.7320 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.5981 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 2.8660 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2.0000 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.0611 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.8671 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.4641 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 2.3100 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 1.4631 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 1.6900 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.3301 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 1 5 1 0 0 0 0
+ 1 12 1 0 0 0 0
+ 2 11 1 0 0 0 0
+ 2 21 1 0 0 0 0
+ 3 11 2 0 0 0 0
+ 4 12 2 0 0 0 0
+ 5 6 1 0 0 0 0
+ 5 7 2 0 0 0 0
+ 6 8 2 0 0 0 0
+ 6 11 1 0 0 0 0
+ 7 9 1 0 0 0 0
+ 7 14 1 0 0 0 0
+ 8 10 1 0 0 0 0
+ 8 15 1 0 0 0 0
+ 9 10 2 0 0 0 0
+ 9 16 1 0 0 0 0
+ 10 17 1 0 0 0 0
+ 12 13 1 0 0 0 0
+ 13 18 1 0 0 0 0
+ 13 19 1 0 0 0 0
+ 13 20 1 0 0 0 0
+M END
+>
+2244
+
+>
+1
+
+>
+212
+
+>
+4
+
+>
+1
+
+>
+3
+
+>
+AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAkIAAIiAEGCMgMJzaENRqCe2Cl4BEIuYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==
+
+>
+2-acetoxybenzoic acid
+
+>
+2-acetyloxybenzoic acid
+
+>
+2-acetyloxybenzoic acid
+
+>
+2-acetyloxybenzoic acid
+
+>
+2-acetoxybenzoic acid
+
+>
+InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
+
+>
+BSYNRYMUTXBXSQ-UHFFFAOYSA-N
+
+>
+1.2
+
+>
+180.042259
+
+>
+C9H8O4
+
+>
+180.15742
+
+>
+CC(=O)OC1=CC=CC=C1C(=O)O
+
+>
+CC(=O)OC1=CC=CC=C1C(=O)O
+
+>
+63.6
+
+>
+180.042259
+
+>
+0
+
+>
+13
+
+>
+0
+
+>
+0
+
+>
+0
+
+>
+0
+
+>
+0
+
+>
+1
+
+>
+1
+
+>
+1
+5
+255
+
+>
+5 6 8
+5 7 8
+6 8 8
+7 9 8
+8 10 8
+9 10 8
+
+$$$$
+
diff -r de242914a56a -r 0b732f3cfad0 tool_dependencies.xml
--- a/tool_dependencies.xml Wed Mar 05 02:24:52 2014 -0500
+++ b/tool_dependencies.xml Thu Apr 03 06:07:32 2014 -0400
@@ -1,49 +1,74 @@
-
-
-
-
-
+
+
-
-
+
+
-
-
+
- http://cache.ruby-lang.org/pub/ruby/2.0/ruby-2.0.0-p451.tar.gz
+
+ http://downloads.sourceforge.net/project/osra/osra/2.0.0/osra-2.0.0.tgz
+
+
-
-
+
+
-
-
-
-
-
+
+
-
- --disable-install-doc
+
+ wget http://potrace.sourceforge.net/download/potrace-1.11.tar.gz
+ tar xfvz potrace-1.11.tar.gz && cd potrace-1.11 && ./configure --with-libpotrace --prefix=$INSTALL_DIR/potrace/build && make && make install
+
+
+
+ wget http://downloads.sourceforge.net/project/osra/gocr-patched/gocr-0.50pre-patched.tgz
+ tar xfvz gocr-0.50pre-patched.tgz && cd gocr-0.50pre-patched && ./configure --prefix=$INSTALL_DIR/gocr/build && make libs && make all install
+
+
+
+ wget http://downloads.sourceforge.net/project/tclap/tclap-1.2.1.tar.gz
+ tar xfvz tclap-1.2.1.tar.gz && cd tclap-1.2.1 && ./configure --prefix=$INSTALL_DIR/tclap/build && make && make install
+
+
+ wget http://mirror.checkdomain.de/gnu/ocrad/ocrad-0.21.tar.gz
+ tar xfvz ocrad-0.21.tar.gz && cd ocrad-0.21 && ./configure --prefix=$INSTALL_DIR/ocrad/build && make && make install
+
+
+ wget https://launchpad.net/cuneiform-linux/1.1/1.1/+download/cuneiform-linux-1.1.0.tar.bz2
+ tar xfvj cuneiform-linux-1.1.0.tar.bz2 && cd cuneiform-linux-1.1.0 && mkdir build && cd build && cmake .. -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/cuneiform/build/ && make && make install
+
+
+
+ export PATH=$PATH:$GRAPHICSMAGICK_ROOT_DIR/bin/ &&
+ ./configure --with-tclap-include=$INSTALL_DIR/tclap/build/include/ --with-potrace-include=$INSTALL_DIR/potrace/build/include/ --with-potrace-lib=$INSTALL_DIR/potrace/build/lib/ --with-gocr-include=$INSTALL_DIR/gocr/build/include/gocr/ --with-gocr-lib=$INSTALL_DIR/gocr/build/lib/ --with-ocrad-include=$INSTALL_DIR/ocrad/build/include/ --with-ocrad-lib=$INSTALL_DIR/ocrad/build/lib/ --with-cuneiform-include=$INSTALL_DIR/cuneiform/build/install/include/ --with-cuneiform --with-cuneiform-lib=$INSTALL_DIR/cuneiform/build/install/lib/ --with-openbabel-include=$OPENBABEL_INCLUDE_DIR/openbabel-2.0/ --with-openbabel-lib=$OPENBABEL_LIB_DIR --with-graphicsmagick-lib=$GRAPHICSMAGICK_ROOT_DIR/lib/ --with-graphicsmagick-include=$GRAPHICSMAGICK_ROOT_DIR/include/GraphicsMagick/ --prefix=$INSTALL_DIR
+ make
+ make install
+
+ rm $INSTALL_DIR/tclap/ -r
+
+ rm $INSTALL_DIR/gocr/ -r
+ rm $INSTALL_DIR/ocrad/ -r
+ rm $INSTALL_DIR/cuneiform/ -r
+ $ENV[GRAPHICSMAGICK_ROOT_DIR]/lib/
+ $INSTALL_DIR/potrace/build/lib/
$INSTALL_DIR/bin
- $INSTALL_DIR/lib/
- $INSTALL_DIR
- $INSTALL_DIR
-
+
+ $INSTALL_DIR/share
-
- This installs ruby 2.0.x. Ruby is a dynamic, open source programming language with a focus on simplicity and productivity.
- It has an elegant syntax that is natural to read and easy to write.
- https://www.ruby-lang.org/
-
- RUBYHOME and RUBYLIB will be set and with GALAXY_RUBY_HOME you can access the root installation directory.
-
+ We still have a handfull of requirements