# HG changeset patch # User peterjc # Date 1417431556 18000 # Node ID 2fe07f50a41ef0fe26d89812a4ab9276e45494e3 # Parent 623f727cdff16cf130cd767367564a74c3dac318 Uploaded v0.1.01 - Requires blastdbd datatype (blast_datatypes v0.0.19). Support for makeprofiledb to create protein domain databases and use them in RPS-BLAST and RPS-TBLASTN. Tools now support GI and SeqID filters, and embed the citations. diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003.smp --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/cd00003.smp Mon Dec 01 05:59:16 2014 -0500 @@ -0,0 +1,19957 @@ +PssmWithParameters ::= { + pssm { + isProtein TRUE, + numRows 28, + numColumns 234, + byRow FALSE, + query seq { + id { + general { + db "CDD", + tag id 237977 + } + }, + descr { + title "cd00003, PNPsynthase, Pyridoxine 5'-phosphate (PNP) synthase + domain; pyridoxal 5'-phosphate is the active form of vitamin B6 that acts as + an essential, ubiquitous coenzyme in amino acid metabolism. In bacteria, + formation of pyridoxine 5'-phosphate is a step in the biosynthesis of vitamin + B6. PNP synthase, a homooctameric enzyme, catalyzes the final step in PNP + biosynthesis, the condensation of 1-amino-acetone 3-phosphate and + 1-deoxy-D-xylulose 5-phosphate. PNP synthase adopts a TIM barrel topology, + intersubunit contacts are mediated by three ''extra'' helices, generating a + tetramer of symmetric dimers with shared active sites; the open state has + been proposed to accept substrates and to release products, while most of the + catalytic events are likely to occur in the closed state; a hydrophilic + channel running through the center of the barrel was identified as the + essential structural feature that enables PNP synthase to release water + molecules produced during the reaction from the closed, solvent-shielded + active site." + }, + inst { + repr raw, + mol aa, + length 234, + seq-data ncbieaa "RLGVNIDHVATLRNARGTNYPDPVEAALLAEKAGADGITVHLREDRRHIQDR +DVRLLRELVRTELNLEMAPTEEMLEIALEVKPHQVTLVPEKREELTTEGGLDVAGQAEKLKPIIERLKDAGIRVSLFI +DPDPEQIEAAKEVGADRVELHTGPYANAYDKAEREAELERIAKAAKLARELGLGVNAGHGLNYENVKPIAKIPGIAEL +NIGHAIISRALFVGLEEAVREMKDLI" + } + }, + intermediateData { + weightedResFreqsPerPos { + { 0, 10, 0 }, + { 575880368388257, 10, 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-594, + -334, + -636, + -593, + 485, + -545, + 343, + 529, + -604, + -586, + -513, + -556, + -479, + -56, + 41, + -533, + -100, + -450, + -32768, + -32768, + -400, + -32768, + -32768 + }, + lambda { 267, 10, -3 }, + kappa { 695502437462053, 10, -16 }, + h { 14, 10, -2 }, + scalingFactor 100, + lambdaUngapped { 315181590957692, 10, -15 }, + kappaUngapped { 22723615854819, 10, -14 }, + hUngapped { 852942415611443, 10, -15 } + } + }, + params { + pseudocount 10, + rpsdbparams { + matrixName "BLOSUM62" + } + } +} diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.aux --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/cd00003_and_cd00008.aux Mon Dec 01 05:59:16 2014 -0500 @@ -0,0 +1,12 @@ +BLOSUM62 +11 +1 +0.000000e+00 +0.000000e+00 +0 +0 +100.000000 +234 +6.955024e-02 +160 +4.862535e-02 diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.freq Binary file test-data/cd00003_and_cd00008.freq has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.loo Binary file test-data/cd00003_and_cd00008.loo has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.phr Binary file test-data/cd00003_and_cd00008.phr has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.pin Binary file test-data/cd00003_and_cd00008.pin has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.psd --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/cd00003_and_cd00008.psd Mon Dec 01 05:59:16 2014 -0500 @@ -0,0 +1,2 @@ +gnl|cdd|1890191 +gnl|cdd|2379770 diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.psi Binary file test-data/cd00003_and_cd00008.psi has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.psq Binary file test-data/cd00003_and_cd00008.psq has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00003_and_cd00008.rps Binary file test-data/cd00003_and_cd00008.rps has changed diff -r 623f727cdff1 -r 2fe07f50a41e test-data/cd00008.smp --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/cd00008.smp Mon Dec 01 05:59:16 2014 -0500 @@ -0,0 +1,13679 @@ +PssmWithParameters ::= { + pssm { + isProtein TRUE, + numRows 28, + numColumns 160, + byRow FALSE, + query seq { + id { + general { + db "CDD", + tag id 189019 + } + }, + descr { + title "cd00008, PIN_53EXO-like, PIN domains of the 5'-3' exonucleases + of DNA polymerase I, bacteriophage T4 RNase H and T5-5' nucleases, and + homologs. PIN (PilT N terminus) domains of the 5'-3' exonucleases (53EXO) of + mutli-domain DNA polymerase I and single domain protein homologs, as well as, + the PIN domains of bacteriophage T5-5'nuclease (T5FEN or 5'-3'exonuclease), + bacteriophage T4 RNase H (T4FEN), bacteriophage T3 (T3 phage + exodeoxyribonuclease) and other similar nucleases are included in this + family. The 53EXO of DNA polymerase I recognizes and endonucleolytically + cleaves a structure-specific DNA substrate that has a bifurcated downstream + duplex and an upstream template-primer duplex that overlaps the downstream + duplex by 1 bp. The T5-5'nuclease is a 5'-3'exodeoxyribonuclease that also + exhibits endonucleolytic activity on flap structures (branched duplex DNA + containing a free single-stranded 5'end). T4 RNase H, which removes the RNA + primers that initiate lagging strand fragments, has 5'- 3'exonuclease + activity on DNA/DNA and RNA/DNA duplexes and has endonuclease activity on + flap or forked DNA structures. These nucleases are members of the + structure-specific, 5' nuclease family that catalyzes hydrolysis of DNA + duplex-containing nucleic acid structures during DNA replication, repair, and + recombination. They contain a PIN domain with a helical arch/clamp region (I + domain) of variable length (approximately 16 to 30 residues in 53EXO-like PIN + domains) and a H3TH (helix-3-turn-helix) domain, an atypical + helix-hairpin-helix-2-like region. Both the H3TH domain (not included here) + and the helical arch/clamp region are involved in DNA binding. The active + site of the 53EXO of Taq DNA polymerase I includes a set of conserved acidic + residues that are essential for binding three divalent metal ions (two Mn2+ + ions and one Zn2+ ion) required for nuclease activity. T5-5'nuclease requires + at least two bound divalent metal ions for nuclease activity and is reported + to be able to use Mg2+, Mn2+ or Co2+ as co-factors." + }, + inst { + repr raw, + mol aa, + length 160, + seq-data ncbieaa "LMLVDGTNLAFRTKHNNSKKKEKINLSPFASSYVSSIQSLAKSYSARTTIVL +GDKGKSVFRLEHLPEYKGNRDEKYAEEKALDEQFFEYLKDAFELCKATTFPTFTIRGYEADDMAAYLVKKIGHEGDHV +WIISTDGDWDQLLTDKVSRFSPTTRREYHL" + } + }, + intermediateData { + weightedResFreqsPerPos { + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 338020833333333, 10, -15 }, + { 0, 10, 0 }, + { 328645833333333, 10, -15 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 333333333333333, 10, -15 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 0, 10, 0 }, + { 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b/tools/ncbi_blast_plus/README.rst Mon Dec 01 05:59:16 2014 -0500 @@ -1,10 +1,13 @@ Galaxy wrappers for NCBI BLAST+ suite ===================================== -These wrappers are copyright 2010-2013 by Peter Cock (The James Hutton Institute, -UK) and additional contributors. All rights reserved. See the licence text below. +These wrappers are copyright 2010-2014 by Peter Cock (The James Hutton Institute, +UK) and additional contributors including Edward Kirton, John Chilton, +Nicola Soranzo, Jim Johnson, and Bjoern Gruening. -Currently tested with NCBI BLAST 2.2.28+ (i.e. version 2.2.28 of BLAST+), +See the licence text below. + +Currently tested with NCBI BLAST 2.2.29+ (i.e. version 2.2.29 of BLAST+), and does not work with the NCBI 'legacy' BLAST suite (e.g. ``blastall``). Note that these wrappers (and the associated datatypes) were originally @@ -21,9 +24,9 @@ ====================== Galaxy should be able to automatically install the dependencies, i.e. the -``blast_datatypes`` repository which defines the BLAST XML file format -(``blastxml``) and protein and nucleotide BLAST databases (``blastdbp`` and -``blastdbn``). +BLAST+ binaries and the ``blast_datatypes`` repository which defines the +BLAST XML file format (``blastxml``), protein and nucleotide BLAST databases +(``blastdbp`` and ``blastdbn``), and so on. See the configuration notes below. @@ -47,12 +50,12 @@ + You will also need to install ``blast_datatypes`` from the Tool Shed. This -defines the BLAST XML file format (``blastxml``) and protein and nucleotide -BLAST databases composite file formats (``blastdbp`` and ``blastdbn``): +defines the BLAST XML file format (``blastxml``), BLAST databases, etc: * http://toolshed.g2.bx.psu.edu/view/devteam/blast_datatypes @@ -61,7 +64,7 @@ files. You must install the NCBI BLAST+ standalone tools somewhere on the system -path. Currently the unit tests are written using "BLAST 2.2.28+". +path. Currently the unit tests are written using BLAST 2.2.29+. Run the functional tests (adjusting the section identifier to match your ``tool_conf.xml.sample`` file):: @@ -72,10 +75,10 @@ ============= You must tell Galaxy about any system level BLAST databases using configuration -files blastdb.loc (nucleotide databases like NT) and blastdb_p.loc (protein -databases like NR), and blastdb_d.loc (protein domain databases like CDD or -SMART) which are located in the tool-data/ folder. Sample files are included -which explain the tab-based format to use. +files ``blastdb.loc`` (nucleotide databases like NT) and ``blastdb_p.loc`` +(protein databases like NR), and ``blastdb_d.loc`` (protein domain databases +like CDD or SMART) which are located in the ``tool-data/`` folder. Sample +files are included which explain the tab-based format to use. You can download the NCBI provided databases as tar-balls from here: @@ -91,9 +94,9 @@ will appear as ``N/A`` in the tabular output. The BLAST+ binaries support multi-threaded operation, which is handled via the -$GALAXY_SLOTS environment variable. This should be set automatically by Galaxy -via your job runner settings, which allows you to (for example) allocate four -cores to each BLAST job. +``$GALAXY_SLOTS`` environment variable. This should be set automatically by +Galaxy via your job runner settings, which allows you to (for example) allocate +four cores to each BLAST job. In addition, the BLAST+ wrappers also support high level parallelism by task splitting if ``use_tasked_jobs = True`` is enabled in your ``universe_wsgi.ini`` @@ -111,25 +114,25 @@ v0.0.11 - Final revision as part of the Galaxy main repository, and the first release via the Tool Shed v0.0.12 - Implements genetic code option for translation searches. - - Changes to 1000 sequences at a time (to cope with + - Changes ```` to 1000 sequences at a time (to cope with very large sets of queries where BLAST+ can become memory hungry) - Include warning that BLAST+ with subject FASTA gives pairwise e-values v0.0.13 - Use the new error handling options in Galaxy (the previously - bundled hide_stderr.py script is no longer needed). + bundled ``hide_stderr.py`` script is no longer needed). v0.0.14 - Support for makeblastdb and blastdbinfo with local BLAST databases in the history (using work from Edward Kirton), requires v0.0.14 - of the 'blast_datatypes' repository from the Tool Shed. + of the ``blast_datatypes`` repository from the Tool Shed. v0.0.15 - Stronger warning in help text against searching against subject FASTA files (better looking e-values than you might be expecting). v0.0.16 - Added repository_dependencies.xml for automates installation of the - 'blast_datatypes' repository from the Tool Shed. + ``blast_datatypes`` repository from the Tool Shed. v0.0.17 - The BLAST+ search tools now default to extended tabular output (all too often our users where having to re-run searches just to get one of the missing columns like query or subject length) v0.0.18 - Defensive quoting of filenames in case of spaces (where possible, BLAST+ handling of some multi-file arguments is problematic). -v0.0.19 - Added wrappers for rpsblast and rpstblastn, and new blastdb_d.loc +v0.0.19 - Added wrappers for rpsblast and rpstblastn, and new ``blastdb_d.loc`` for the domain databases they use (e.g. CDD, PFAM or SMART). - Correct case of exception regular expression (for error handling fall-back in case the return code is not set properly). @@ -138,36 +141,46 @@ - Added percentage identity option to BLASTN. - Fallback on ElementTree if cElementTree missing in XML to tabular. - Link to Tool Shed added to help text and this documentation. - - Tweak dependency on blast_datatypes to also work on Test Tool Shed. - - Dependency on new package_blast_plus_2_2_26 in Tool Shed. + - Tweak dependency on ``blast_datatypes`` to also work on Test Tool Shed. + - Dependency on new ``package_blast_plus_2_2_26`` in Tool Shed. - Adopted standard MIT License. - Development moved to GitHub, https://github.com/peterjc/galaxy_blast - Updated citation information (Cock et al. 2013). -v0.0.21 - Use macros to simplify the XML wrappers. +v0.0.21 - Use macros to simplify the XML wrappers (by John Chilton). - Added wrapper for dustmasker. - - Enabled masking for makeblastdb. - - Requires 'maskinfo-asn1' and 'maskinfo-asn1-binary' datatypes. - defined in updated blast_datatypes on Galaxy ToolShed. + - Enabled masking for makeblastdb (Nicola Soranzo). + - Requires ``maskinfo-asn1`` and ``maskinfo-asn1-binary`` datatypes, + defined in ``blast_datatypes`` v0.0.17 on Galaxy ToolShed. - Tests updated for BLAST+ 2.2.27 instead of BLAST+ 2.2.26. - - Now depends on package_blast_plus_2_2_27 in ToolShed. -v0.0.22 - More use macros to simplify the wrappers. - - Set number of threads via $GALAXY_SLOTS environment variable. + - Now depends on ``package_blast_plus_2_2_27`` in ToolShed. +v0.0.22 - More use of macros to simplify the wrappers. + - Set number of threads via ``$GALAXY_SLOTS`` environment variable. - More descriptive default output names. - - Tests require updated BLAST DB definitions (blast_datatypes v0.0.18). + - Tests require updated BLAST DB definitions (``blast_datatypes`` v0.0.18). - Pre-check for duplicate identifiers in makeblastdb wrapper. - Tests updated for BLAST+ 2.2.28 instead of BLAST+ 2.2.27. - - Now depends on package_blast_plus_2_2_28 in ToolShed. + - Now depends on ``package_blast_plus_2_2_28`` in ToolShed. - Extended tabular output includes 'salltitles' as column 25. -v0.1.00 - Now depends on package_blast_plus_2_2_29 in ToolShed. - - Tabular output now includes option to pick specific columns, - including previously unavailable taxonomy columns. - - BLAST XML to tabular tool supports multiple input files. +v0.1.00 - Now depends on ``package_blast_plus_2_2_29`` in ToolShed. + - Tabular output now includes option to pick specific columns + (based on contribution from Jim Johnson), including previously + unavailable taxonomy columns. + - BLAST XML to tabular tool supports multiple input files + (based on contribution from Jim Johnson). - More detailed descriptions for BLASTN and BLASTP task option. - - Wrappers for segmasker, dustmasker and convert2blastmask. + - Wrappers for segmasker, dustmasker and convert2blastmask + (contribution from Bjoern Gruening). - Supports using maskinfo with makeblastdb wrapper. - Supports setting a taxonomy ID in makeblastdb wrapper. - Subtle changes like new conditional settings will require some old - workflows be updated to cope. + workflows be updated to cope. +v0.1.01 - Requires ``blastdbd`` datatype (``blast_datatypes`` v0.0.19). + - Wrapper for makeprofiledb added to create protein domain databases + (based on contribution from Bjoern Gruening). + - The RPS-BLAST and RPS-TBLASTN wrappers support using a protein + domain database from the user's history. + - Tool definitions now embed citation information (by John Chilton). + - BLAST tools support GI and SeqID filters (added by Bjoern Gruening). ======= ====================================================================== diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/blastxml_to_tabular.py --- a/tools/ncbi_blast_plus/blastxml_to_tabular.py Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/blastxml_to_tabular.py Mon Dec 01 05:59:16 2014 -0500 @@ -66,7 +66,7 @@ from optparse import OptionParser if "-v" in sys.argv or "--version" in sys.argv: - print "v0.1.00" + print "v0.1.01" sys.exit(0) if sys.version_info[:2] >= ( 2, 5 ): @@ -85,7 +85,20 @@ if len(sys.argv) == 4 and sys.argv[3] in ["std", "x22", "ext"]: #False positive if user really has a BLAST XML file called 'std' or 'ext'... - stop_err("ERROR: The script API has changed, sorry.") + stop_err("""ERROR: The script API has changed, sorry. + +Instead of the old style: + +$ python blastxml_to_tabular.py input.xml output.tabular std + +Please use: + +$ python blastxml_to_tabular.py -o output.tabular -c std input.xml + +For more information, use: + +$ python blastxml_to_tabular.py -h +""") usage = """usage: %prog [options] blastxml[,...] diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/blastxml_to_tabular.xml --- a/tools/ncbi_blast_plus/blastxml_to_tabular.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/blastxml_to_tabular.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Convert BLAST XML output to tabular blastxml_to_tabular.py --version @@ -209,4 +209,7 @@ This wrapper is available to install into other Galaxy Instances via the Galaxy Tool Shed at http://toolshed.g2.bx.psu.edu/view/devteam/ncbi_blast_plus + + 10.7717/peerj.167 + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_blastdbcmd_info.xml --- a/tools/ncbi_blast_plus/ncbi_blastdbcmd_info.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_blastdbcmd_info.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Show BLAST database information from blastdbcmd blastdbcmd @@ -32,4 +32,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_blastdbcmd_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_blastdbcmd_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_blastdbcmd_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Extract sequence(s) from BLAST database blastdbcmd @@ -104,4 +104,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_blastn_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_blastn_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_blastn_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search nucleotide database with nucleotide query sequence(s) @@ -24,6 +24,7 @@ -perc_identity $adv_opts.identity_cutoff #end if $adv_opts.ungapped +@ADV_ID_LIST_FILTER@ ## End of advanced options: #end if @@ -62,6 +63,7 @@ + @@ -128,4 +130,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_blastp_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_blastp_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_blastp_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search protein database with protein query sequence(s) @@ -22,6 +22,7 @@ @ADVANCED_OPTIONS@ ##Ungapped disabled for now - see comments below ##$adv_opts.ungapped +@ADV_ID_LIST_FILTER@ ## End of advanced options: #end if @@ -52,6 +53,7 @@ --> + @@ -144,4 +146,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_blastx_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_blastx_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_blastx_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search protein database with translated nucleotide query sequence(s) @@ -22,6 +22,7 @@ -matrix $adv_opts.matrix @ADVANCED_OPTIONS@ $adv_opts.ungapped +@ADV_ID_LIST_FILTER@ ## End of advanced options: #end if @@ -45,6 +46,7 @@ + @@ -123,4 +125,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_convert2blastmask_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_convert2blastmask_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_convert2blastmask_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Convert masking information in lower-case masked FASTA input to file formats suitable for makeblastdb convert2blastmask @@ -84,4 +84,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_dustmasker_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_dustmasker_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_dustmasker_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + masks low complexity regions @@ -96,4 +96,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_macros.xml --- a/tools/ncbi_blast_plus/ncbi_macros.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_macros.xml Mon Dec 01 05:59:16 2014 -0500 @@ -113,8 +113,9 @@ + - + @@ -228,10 +229,8 @@ - - @@ -244,13 +243,11 @@ - @@ -325,8 +322,42 @@ - + + + + + + + + + + + + + + + + + + + + + + +#if $adv_opts.adv_optional_id_files_opts.adv_optional_id_files_opts_selector == 'negative_gilist': + -negative_gilist $adv_opts.adv_optional_id_files_opts.negative_gilist +#elif $adv_opts.adv_optional_id_files_opts.adv_optional_id_files_opts_selector == 'gilist': + -gilist $adv_opts.adv_optional_id_files_opts.gilist +#elif $adv_opts.adv_optional_id_files_opts.adv_optional_id_files_opts_selector == 'seqidlist': + -seqidlist $adv_opts.adv_optional_id_files_opts.seqidlist +#end if + -num_threads "\${GALAXY_SLOTS:-8}" #if $db_opts.db_opts_selector == "db": @@ -383,6 +414,13 @@ This wrapper is available to install into other Galaxy Instances via the Galaxy Tool Shed at http://toolshed.g2.bx.psu.edu/view/devteam/ncbi_blast_plus + + + 10.1186/1471-2105-10-421 + 10.7717/peerj.167 + + + **Output format** Because Galaxy focuses on processing tabular data, the default output of this diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_makeblastdb.xml --- a/tools/ncbi_blast_plus/ncbi_makeblastdb.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_makeblastdb.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Make BLAST database makeblastdb @@ -180,4 +180,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_makeprofiledb.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tools/ncbi_blast_plus/ncbi_makeprofiledb.xml Mon Dec 01 05:59:16 2014 -0500 @@ -0,0 +1,128 @@ + + Make profile database + + makeprofiledb + ncbi_macros.xml + + + +##Unlike makeblastdb, makeprofiledb needs directory to exist already: +mkdir -p $outfile.extra_files_path && +makeprofiledb -out "${os.path.join($outfile.extra_files_path,'blastdb')}" + +##We turn $infile_list into $infiles with a configfile entry defined below +-in $infiles + +#if $title: +-title "$title" +#else: +##Would default to being based on the cryptic Galaxy filenames, which is unhelpful +-title "Profile Database" +#end if + +-threshold $threshold + +#if str($contain_pssm_scores.contain_pssm_scores_type) == 'no': + -gapopen $contain_pssm_scores.gapopen + -gapextend $contain_pssm_scores.gapextend + -scale $contain_pssm_scores.scale + -matrix $contain_pssm_scores.matrix +#end if + +-obsr_threshold $obsr_threshold +-exclude_invalid $exclude_invalid + +-logfile "$outfile" + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +#for $infile in $input_file +${infile} +#end for + + + + + + + + + + + + + + + + + + + + + + + + +**What it does** + +Make a protein domain profile database (for use with RPS-BLAST or RSP-TBLASTN) +from one or more Position Specific Scoring Matrices (PSSM) files in the NCBI +"scoremat" ASN.1 format (usually named ``*.smp``). + +This is a wrapper for the NCBI BLAST+ tool 'makeprofiledb'. + +More information about makeprofiledb can be found in the `BLAST Command Line Applications User Manual`_. + +.. _BLAST Command Line Applications User Manual: http://www.ncbi.nlm.nih.gov/books/NBK1763/ + + +**References** + +If you use this Galaxy tool in work leading to a scientific publication please +cite the following papers: + +@REFERENCES@ + + + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_rpsblast_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_rpsblast_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_rpsblast_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search protein domain database (PSSMs) with protein query sequence(s) @@ -104,4 +104,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_rpstblastn_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_rpstblastn_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_rpstblastn_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search protein domain database (PSSMs) with translated nucleotide query sequence(s) @@ -102,4 +102,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_segmasker_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_segmasker_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_segmasker_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + low-complexity regions in protein sequences segmasker @@ -98,4 +98,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_tblastn_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_tblastn_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_tblastn_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search translated nucleotide database with protein query sequence(s) @@ -22,6 +22,7 @@ @ADVANCED_OPTIONS@ ##Ungapped disabled for now - see comments below ##$adv_opts.ungapped +@ADV_ID_LIST_FILTER@ ## End of advanced options: #end if @@ -49,6 +50,7 @@ --> + @@ -158,4 +160,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/ncbi_tblastx_wrapper.xml --- a/tools/ncbi_blast_plus/ncbi_tblastx_wrapper.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/ncbi_tblastx_wrapper.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + Search translated nucleotide database with translated nucleotide query sequence(s) @@ -24,6 +24,7 @@ ## Need int(str(...)) because $adv_opts.max_hits is an InputValueWrapper object not a string ## Note -max_target_seqs overrides -num_descriptions and -num_alignments @ADVANCED_OPTIONS@ +@ADV_ID_LIST_FILTER@ ## End of advanced options: #end if @@ -49,6 +50,7 @@ + @@ -74,7 +76,7 @@ **What it does** -Search a *translated nucleotide database* using a *protein query*, +Search a *translated nucleotide database* using a *translated nucleotide query*, using the NCBI BLAST+ tblastx command line tool. @FASTA_WARNING@ @@ -92,4 +94,5 @@ @REFERENCES@ + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/repository_dependencies.xml --- a/tools/ncbi_blast_plus/repository_dependencies.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/repository_dependencies.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,4 +1,4 @@ - + diff -r 623f727cdff1 -r 2fe07f50a41e tools/ncbi_blast_plus/tool_dependencies.xml --- a/tools/ncbi_blast_plus/tool_dependencies.xml Fri Mar 14 07:40:46 2014 -0400 +++ b/tools/ncbi_blast_plus/tool_dependencies.xml Mon Dec 01 05:59:16 2014 -0500 @@ -1,6 +1,6 @@ - +