# HG changeset patch # User bgruening # Date 1405449295 14400 # Node ID 5db064bbb3be283d2f7af720b13306065d667f09 Imported from capsule None diff -r 000000000000 -r 5db064bbb3be antismash.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/antismash.xml Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,253 @@ + + and Antibiotics Analysis (antiSMASH) + + hmmer + hmmer + blast+ + blast+ + muscle + muscle + straight.plugin + straight.plugin + biopython + biopython + pyquery + pyquery + helperlibs + helperlibs + cssselect + cssselect + antismash + antismash + glimmer + + + #import os, glob + #set $outputfolder = $html.files_path + #if str($infile.ext) == 'genbank': + #set $file_extension = 'gb' + #else: + ## TODO add embl as input file + #set $file_extension = 'gb' + #end if + + ln -s $infile #echo 'input_tempfile.' + $file_extension#; + mkdir -p $outputfolder; + run_antismash.py + --cpus "\${GALAXY_SLOTS:-12}" + --enable $types + --input-type 'nucl' + $smcogs + $clusterblast + $subclusterblast + $inclusive + $full_hmmer + $full_blast + $eukaryotic + + + #if str($pfam_database) != "None": + --pfamdir $pfam_database.fields.path + #end if + + ##--debug + + --disable-embl + --outputfolder $outputfolder + + #echo 'input_tempfile.' + $file_extension# + + ## leave out the start and end features, it can be easily replaced with Galaxy tools + ##--from START Start analysis at nucleotide specified + ##--to END + + 2>&1 + + ## + ## shuffling files to create the correct outputs for Galaxy + ## + + ## html output + ; + cp #echo os.path.join($outputfolder, 'index.html')# $html 2> /dev/null + + ## gene clusters + #if 'geneclusterprots_tabular' in str($outputs).split(','): + ; + cp #echo os.path.join($outputfolder, 'geneclusters.txt')# $geneclusterprots_tabular 2> /dev/null + #end if + + #if 'geneclusterprots_fasta' in str($outputs).split(','): + ; + cp #echo os.path.join($outputfolder, '*_genecluster_proteins.fa')# $geneclusterprots_fasta 2> /dev/null + #end if + + + ##SVG images + #if 'archive_svgs' in str($outputs).split(','): + ; + cd #echo os.path.join($outputfolder, 'svg')# + #if $clusterblast: + ; + tar cfz $archive_svgs *_all.svg genecluster* 2> /dev/null + #else: + ; + tar cfz $archive_svgs genecluster* + #end if + #end if + + ##all files in a archive + #if 'archive' in str($outputs).split(','): + ; + cd $outputfolder; + tar cf $archive *.zip 2> /dev/null + #end if + + ## genbank + #if 'gb' in str($outputs).split(','): + ; + cat #echo os.path.join($outputfolder, '*.gbk')# > $genbank 2> /dev/null + #end if + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 'geneclusterprots_fasta' in outputs + + + 'geneclusterprots_tabular' in outputs + + + 'archive' in outputs + + + 'archive_svgs' in outputs + + + + + + 'gb' in outputs + + + + +.. class:: infomark + +**What it does** + +antiSMASH allows the rapid genome-wide identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genomes. +It integrates and cross-links with a large number of in silico secondary metabolite analysis tools that have been published earlier. + + +**Input** + +The ideal input for antiSMASH is an annotated nucleotide file in Genbank format. If no annotation is available, +we recommend running your sequence through an annotation pipeline like RAST are the one included in Galaxy. + + +There are several optional analyses that may or may not be run on your sequence. +Highly recommended is the Gene Cluster Blast Comparative Analysis, which runs BlastP using each amino acid sequence from a detected gene cluster as a +query on a large database of predicted protein sequences from secondary metabolite biosynthetic gene clusters, and pools the results to identify +the gene clusters that are most homologous to the gene cluster that was detected in your query nucleotide sequence. + + +Also available is the analysis of secondary metabolism gene families (smCOGs). +This analysis attempts to allocate each gene in the detected gene clusters to a secondary metabolism-specific gene +family using profile hidden Markov models specific for the conserved sequence region characteristic of this family. +Additionally, a phylogenetic tree is constructed of each gene together with the (max. 100) sequences of the smCOG seed alignment. + + +For the most thorough genome analysis, we provide genome-wide PFAM HMM analysis of all genes in the genome through modules of the CLUSEAN pipeline. +Of course, some regions important to secondary metabolism may have been missed in the gene cluster identification stage +(e.g. because they represent the biosynthetic pathway of a yet unknown secondary metabolite). +Therefore, when genome-wide PFAM HMM analysis is selected, the PFAM frequencies are also used to find all genome regions in which PFAM domains typical for secondary metabolism are overrepresented. + + +**References** + +Marnix H. Medema, Kai Blin, Peter Cimermancic, Victor de Jager, Piotr Zakrzewski, Michael A. Fischbach, Tilmann Weber, +Rainer Breitling and Eriko Takano (2011). antiSMASH: Rapid identification, annotation and analysis of secondary metabolite biosynthesis gene clusters. Nucleic Acids Research, doi: 10.1093/nar/gkr466. + +http://antismash.secondarymetabolites.org/help.html + + +Bjoern A. Gruening: https://github.com/bgruening/galaxytools/tree/master/antismash + + + diff -r 000000000000 -r 5db064bbb3be readme.rst --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/readme.rst Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,65 @@ +Galaxy wrapper for AntiSmash +===================================== + +This wrapper is copyright 2012-2014 by Björn Grüning. + +This is a wrapper for the command line tool of antiSMASH. + +antiSMASH allows the rapid genome-wide identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genomes. +It integrates and cross-links with a large number of in silico secondary metabolite analysis tools. + +http://antismash.secondarymetabolites.org/ + +Marnix H. Medema, Kai Blin, Peter Cimermancic, Victor de Jager, Piotr Zakrzewski, Michael A. Fischbach, Tilmann Weber, Rainer Breitling & Eriko Takano (2011). +antiSMASH: Rapid identification, annotation and analysis of secondary metabolite biosynthesis gene clusters. Nucleic Acids Research 39: W339-W346. + + +Installation +============ + +Galaxy should be able to automatically install the dependencies, i.e. the +'package_hmmer_3_0' or 'package_blast_plus_2_2_28' repository. + +You must tell Galaxy about any system level Pfam databases using the configuration +file antismash.loc. + +You can download the Pfam provided databases as compressed archives from here: + +* ftp://ftp.sanger.ac.uk/pub/databases/Pfam/current_release/ + + +External Data +============= + +The antismash.loc file contains the path to a Pfam database. +For any other tool that also uses a Pfam database *.log file, you can sync or link both *.loc files. + + + +History +======= + +v0.1 - Initial public release + + +Licence (MIT) +============= + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. + diff -r 000000000000 -r 5db064bbb3be repository_dependencies.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/repository_dependencies.xml Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,4 @@ + + + + diff -r 000000000000 -r 5db064bbb3be static/images/antismash_html_overview.png Binary file static/images/antismash_html_overview.png has changed diff -r 000000000000 -r 5db064bbb3be static/images/antismash_user_interface.png Binary file static/images/antismash_user_interface.png has changed diff -r 000000000000 -r 5db064bbb3be tool-data/antismash.loc.sample --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool-data/antismash.loc.sample Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,16 @@ +#This is a sample file distributed with Galaxy that is used to define a +#list of PFAM hmms, using three columns tab separated +#(longer whitespace are TAB characters): +# +#The entries are as follows: +# +# +# +#Your antismash.loc file should include an entry per line. For example: +# +#pfam01 PFAM 27 08 Aug 2013 /data/0/galaxy_data/antismash/pfam/08_08_2013/ +# +#...etc... +# + + diff -r 000000000000 -r 5db064bbb3be tool_data_table_conf.xml.sample --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool_data_table_conf.xml.sample Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,8 @@ + + + + + value, dbkey, name, path + +
+
diff -r 000000000000 -r 5db064bbb3be tool_dependencies.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool_dependencies.xml Tue Jul 15 14:34:55 2014 -0400 @@ -0,0 +1,217 @@ + + + + + + + + + + + + + + + + + + https://pypi.python.org/packages/source/h/helperlibs/helperlibs-0.1.2.tar.gz + $INSTALL_DIR/lib/python + + export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && + python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin + + + $INSTALL_DIR/lib/python + $INSTALL_DIR/bin + + + + + helperlibs python library + + + + + + https://pypi.python.org/packages/source/c/cssselect/cssselect-0.9.tar.gz + $INSTALL_DIR/lib/python + + export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && + python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin + + + $INSTALL_DIR/lib/python + $INSTALL_DIR/bin + + + + + cssselect python library + + + + + + https://github.com/gawel/pyquery/archive/1.2.6.tar.gz + $INSTALL_DIR/lib/python + + export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && + python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin + + + $INSTALL_DIR/lib/python + $INSTALL_DIR/bin + + + + + pyquery python library + + + + + + https://pypi.python.org/packages/source/s/straight.plugin/straight.plugin-1.4.0-post-1.tar.gz + $INSTALL_DIR/lib/python + + export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && + python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin + + + $INSTALL_DIR/lib/python + $INSTALL_DIR/bin + + + + + straight.plugin python library + + + + + + + + https://bitbucket.org/antismash/antismash2/downloads/antiSMASH2.0.2_macosx.zip + + . + $INSTALL_DIR + + + $INSTALL_DIR/run_antismash.py + + + https://raw.github.com/bgruening/galaxytools/master/antismash/src/genecluster_sequence/__init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + __init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + + sed -i 's/check_prereqs(plugins, options) > 0/False/g' $INSTALL_DIR/run_antismash.py + https://bitbucket.org/antismash/antismash2/downloads/clusterblast.tar.gz + tar xfvz clusterblast.tar.gz -C $INSTALL_DIR/antismash/generic_modules/clusterblast + + + + https://bitbucket.org/antismash/antismash2/downloads/antiSMASH2.0.2_macosx.zip + + . + $INSTALL_DIR + + + $INSTALL_DIR/run_antismash.py + + + https://raw.github.com/bgruening/galaxytools/master/antismash/src/genecluster_sequence/__init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + __init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + + sed -i 's/check_prereqs(plugins, options) > 0/False/g' $INSTALL_DIR/run_antismash.py + https://bitbucket.org/antismash/antismash2/downloads/clusterblast.tar.gz + tar xfvz clusterblast.tar.gz -C $INSTALL_DIR/antismash/generic_modules/clusterblast + + + + https://bitbucket.org/antismash/antismash2/downloads/antismash-2.0.2.x86_64.tar.bz2 + + . + $INSTALL_DIR + + + $INSTALL_DIR/run_antismash.py + + + https://raw.github.com/bgruening/galaxytools/master/antismash/src/genecluster_sequence/__init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + __init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + + sed -i 's/check_prereqs(plugins, options) > 0/False/g' $INSTALL_DIR/run_antismash.py + https://bitbucket.org/antismash/antismash2/downloads/clusterblast.tar.gz + tar xfvz clusterblast.tar.gz -C $INSTALL_DIR/antismash/generic_modules/clusterblast + + + + https://bitbucket.org/antismash/antismash2/downloads/antismash-2.0.2.i686.tar.bz2 + + . + $INSTALL_DIR + + + $INSTALL_DIR/run_antismash.py + + + https://raw.github.com/bgruening/galaxytools/master/antismash/src/genecluster_sequence/__init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + __init__.py + $INSTALL_DIR/antismash/output_modules/genecluster_sequence/ + + + sed -i 's/check_prereqs(plugins, options) > 0/False/g' $INSTALL_DIR/run_antismash.py + https://bitbucket.org/antismash/antismash2/downloads/clusterblast.tar.gz + tar xfvz clusterblast.tar.gz -C $INSTALL_DIR/antismash/generic_modules/clusterblast + + + + + + + $INSTALL_DIR + $INSTALL_DIR + + + + + AntiSmash installation with all dependencies. + Java needs to be installed. + + +