Mercurial > repos > rdvelazquez > hyphy_fubar
changeset 5:203597c4875e draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/hyphy/ commit b'05321082a670b6d41ae9f329b2b54227eecac6ad\n'-dirty
author | rdvelazquez |
---|---|
date | Mon, 03 Dec 2018 14:55:19 -0500 |
parents | 02ba486058f2 |
children | c21335f5d583 |
files | hyphy_fubar.xml macros.xml test-data/busted-out1.json test-data/fade-in1.fa test-data/fade-in1.nhx test-data/fade-out1.json test-data/fel-out1.json test-data/slac-out1.json |
diffstat | 8 files changed, 2991 insertions(+), 4393 deletions(-) [+] |
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--- a/hyphy_fubar.xml Tue Nov 20 10:18:58 2018 -0500 +++ b/hyphy_fubar.xml Mon Dec 03 14:55:19 2018 -0500 @@ -1,70 +1,93 @@ <?xml version="1.0"?> <tool id="hyphy_fubar" name="HyPhy-FUBAR" version="@VERSION@+galaxy0"> - <description>: Fast Unconstrained Bayesian AppRoximation</description> - <macros> - <import>macros.xml</import> - </macros> - <expand macro="requirements" /> - <version_command>HYPHYMP --version | tail -n 1 | awk '{print $1}'</version_command> - <command detect_errors="exit_code"> - <![CDATA[ - ln -s '$input_file' fubar_input.fa && - ln -s '$input_nhx' fubar_input.nhx && - echo $gencodeid > tool_params && - echo `pwd`/fubar_input.fa >> tool_params && - echo `pwd`/fubar_input.nhx >> tool_params && - echo '$grid_points' >> tool_params && - echo '$mcmc' >> tool_params && - echo '$chain_length' >> tool_params && - echo '$samples' >> tool_params && - echo '$samples_per_chain' >> tool_params && - echo '$concentration' >> tool_params && - @HYPHY_INVOCATION@ \$HYPHY_LIB/TemplateBatchFiles/SelectionAnalyses/FUBAR.bf > '$fubar_log' - ]]> - </command> - <inputs> - <param name="input_file" type="data" format="fasta" label="Input FASTA file" /> - <param name="input_nhx" type="data" format="nhx" label="Input newick file" /> - <param name="gencodeid" type="select" label="Genetic code"> - <option value="1">Universal code</option> - <option value="2">Vertebrate mitochondrial DNA code</option> - <option value="3">Yeast mitochondrial DNA code</option> - <option value="4">Mold, Protozoan and Coelenterate mt; Mycloplasma/Spiroplasma</option> - <option value="5">Invertebrate mitochondrial DNA code</option> - <option value="6">Ciliate, Dasycladacean and Hexamita Nuclear code</option> - <option value="7">Echinoderm mitochondrial DNA code</option> - <option value="8">Euplotid Nuclear code</option> - <option value="9">Alternative Yeast Nuclear code</option> - <option value="10">Ascidian mitochondrial DNA code</option> - <option value="11">Flatworm mitochondrial DNA code</option> - <option value="12">Blepharisma Nuclear code</option> - </param> - <param name="grid_points" type="integer" value="20" min="5" max="50" label="Grid points" /> - <param name="mcmc" type="integer" value="5" min="2" max="20" label="Number of MCMC chains" /> - <param name="chain_length" type="integer" value="2000000" min="500000" max="50000000" label="Length of each chain" /> - <param name="samples" type="integer" value="1000000" min="100000" max="1900000" label="Samples to use for burn-in" /> - <param name="samples_per_chain" type="integer" value="100" min="50" max="1000000" label="Samples to draw from each chain" /> - <param name="concentration" type="float" value="0.5" min="0.001" max="1" label="Concentration parameter of the Dirichlet prior" /> - </inputs> - <outputs> - <data name="fubar_log" format="txt" /> - <data name="fubar_output" format="json" from_work_dir="fubar_input.fa.FUBAR.json" /> - </outputs> - <tests> - <test> - <param name="input_file" ftype="fasta" value="fubar-in1.fa" /> - <param name="input_nhx" ftype="nhx" value="fubar-in1.nhx" /> - <output name="fubar_output" file="fubar-out1.json" compare="sim_size" /> - </test> - </tests> - <help> - <![CDATA[ + <description>: Fast Unconstrained Bayesian + AppRoximation</description> + <macros> + <import>macros.xml</import> + </macros> + <expand macro="requirements"/> + <version_command>HYPHYMP --version | tail -n 1 | awk '{print + $1}'</version_command> + <command detect_errors="exit_code"><![CDATA[ + #if $posteriorEstimationMethod == 3: + ln -s '$input_file' fubar_input.fa && + ln -s '$input_nhx' fubar_input.nhx && + echo $gencodeid > tool_params && + echo `pwd`/fubar_input.fa >> tool_params && + echo `pwd`/fubar_input.nhx >> tool_params && + echo '$grid_points' >> tool_params && + echo '$posteriorEstimationMethod' >> tool_params && + echo '$concentration' >> tool_params && + @HYPHY_INVOCATION@ \$HYPHY_LIB/TemplateBatchFiles/SelectionAnalyses/FUBAR.bf > '$fubar_log' + #else: + ln -s '$input_file' fubar_input.fa && + ln -s '$input_nhx' fubar_input.nhx && + echo $gencodeid > tool_params && + echo `pwd`/fubar_input.fa >> tool_params && + echo `pwd`/fubar_input.nhx >> tool_params && + echo '$grid_points' >> tool_params && + echo '$posteriorEstimationMethod' >> tool_params && + echo '$mcmc' >> tool_params && + echo '$chain_length' >> tool_params && + echo '$samples' >> tool_params && + echo '$samples_per_chain' >> tool_params && + echo '$concentration' >> tool_params && + @HYPHY_INVOCATION@ \$HYPHY_LIB/TemplateBatchFiles/SelectionAnalyses/FUBAR.bf > '$fubar_log' + #end if + ]]></command> + <inputs> + <param name="input_file" type="data" format="fasta" label="Input FASTA file"/> + <param name="input_nhx" type="data" format="nhx" label="Input newick file"/> + <param name="gencodeid" type="select" label="Genetic code"> + <option value="1">Universal code</option> + <option value="2">Vertebrate mitochondrial DNA code</option> + <option value="3">Yeast mitochondrial DNA code</option> + <option value="4">Mold, Protozoan and Coelenterate mt; + Mycloplasma/Spiroplasma</option> + <option value="5">Invertebrate mitochondrial DNA + code</option> + <option value="6">Ciliate, Dasycladacean and Hexamita Nuclear + code</option> + <option value="7">Echinoderm mitochondrial DNA code</option> + <option value="8">Euplotid Nuclear code</option> + <option value="9">Alternative Yeast Nuclear code</option> + <option value="10">Ascidian mitochondrial DNA code</option> + <option value="11">Flatworm mitochondrial DNA code</option> + <option value="12">Blepharisma Nuclear code</option> + </param> + <param name="posteriorEstimationMethod" type="select" label="Posterior estimation method"> + <option value="1">Metropolis-Hastings - Full + Metropolis-Hastings MCMC algorithm (slowest, original 2013 + paper implementation)</option> + <option value="2">Collapsed Gibbs - Collapsed Gibbs sampler + (intermediate speed)</option> + <option value="3">Variational Bayes - 0-th order Variational + Bayes approximations (fastest, recommended default)</option> + </param> + <param name="grid_points" type="integer" value="20" min="5" max="50" label="Grid points"/> + <param name="mcmc" type="integer" value="5" min="2" max="20" label="Number of MCMC chains"/> + <param name="chain_length" type="integer" value="2000000" min="500000" max="50000000" label="Length of each chain"/> + <param name="samples" type="integer" value="1000000" min="100000" max="1900000" label="Samples to use for burn-in"/> + <param name="samples_per_chain" type="integer" value="100" min="50" max="1000000" label="Samples to draw from each chain"/> + <param name="concentration" type="float" value="0.5" min="0.001" max="1" label="Concentration parameter of the Dirichlet prior"/> + </inputs> + <outputs> + <data name="fubar_log" format="txt"/> + <data name="fubar_output" format="json" from_work_dir="fubar_input.fa.FUBAR.json"/> + </outputs> + <tests> + <test> + <param name="input_file" ftype="fasta" value="fubar-in1.fa"/> + <param name="input_nhx" ftype="nhx" value="fubar-in1.nhx"/> + <output name="fubar_output" file="fubar-out1.json" compare="sim_size"/> + </test> + </tests> + <help><![CDATA[ Model-based selection analyses (such as those performed by PAML and HyPhy) can be slow, becoming impractical for large alignments. We present a method to model and detect selection much faster than existing methods and to leverage Bayesian MCMC to robustly account for parameter estimation errors. Results: By exploiting some commonly used approximations, FUBAR can perform detection of positive selection under a model that allows rich site- to-site rate variation about 30 to 50 times faster than existing random effects likelihood methods, and 10 to 30 times faster than existing fixed effects likelihood methods. We introduce an ultra-fast MCMC routine that allows a flexible prior specification, with no parametric constraints on the prior shape. Furthermore, our method allows us to visualize Bayesian inference for each site, revealing the model supported by the data. - ]]> - </help> - <expand macro="citations"> - <citation type="doi">10.1093/molbev/mst030</citation> - </expand> + ]]></help> + <expand macro="citations"> + <citation type="doi">10.1093/molbev/mst030</citation> + </expand> </tool>
--- a/macros.xml Tue Nov 20 10:18:58 2018 -0500 +++ b/macros.xml Mon Dec 03 14:55:19 2018 -0500 @@ -1,21 +1,21 @@ <?xml version="1.0"?> <macros> - <xml name="citations"> - <citations> - <citation type="doi">10.1093/bioinformatics/bti079</citation> - <yield/> - </citations> - </xml> - <token name="@VERSION@">2.3.14</token> - <xml name="requirements"> - <requirements> - <requirement type="package" version="@VERSION@"> - hyphy</requirement> - <yield/> - </requirements> - </xml> - <token name="@HYPHY_INVOCATION@"><![CDATA[export HYPHY=`which HYPHYMP` && + <xml name="citations"> + <citations> + <citation type="doi">10.1093/bioinformatics/bti079</citation> + <yield /> + </citations> + </xml> + <token name="@VERSION@">2.3.12</token> + <xml name="requirements"> + <requirements> + <requirement type="package" version="@VERSION@">hyphy</requirement> + <yield /> + </requirements> + </xml> + <token name="@HYPHY_INVOCATION@"><![CDATA[export HYPHY=`which HYPHYMP` && export HYPHY_PATH=`dirname \$HYPHY` && export HYPHY_LIB=`readlink -f \$HYPHY_PATH/../lib/hyphy` && -cat tool_params | HYPHYMP LIBPATH=\$HYPHY_LIB ]]></token> -</macros> +cat tool_params | HYPHYMP LIBPATH=\$HYPHY_LIB ]]> + </token> +</macros> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/busted-out1.json Mon Dec 03 14:55:19 2018 -0500 @@ -0,0 +1,361 @@ +{ + "analysis":{ + "info":"BUSTED (branch-site unrestricted statistical test of episodic diversification) uses a random effects branch-site model fitted jointly to all or a subset of tree branches in order to test for alignment-wide evidence of episodic diversifying selection. Assuming there is evidence of positive selection (i.e. there is an omega > 1), BUSTED will also perform a quick evidence-ratio style analysis to explore which individual sites may have been subject to selection.", + "version":"1.2", + "citation":"*Gene-wide identification of episodic selection*, Mol Biol Evol. 32(5):1365-71", + "authors":"Sergei L Kosakovsky Pond", + "contact":"spond@temple.edu", + "requirements":"in-frame codon alignment and a phylogenetic tree (optionally annotated with {})" + }, + "input":{ + "file name":"/Users/stephenshank/Documents/Galaxy/tools-iuc/tools/hyphy/test-data/absrel-in1.fa", + "number of sequences":10, + "number of sites":187, + "partition count":1, + "trees":{ + "0":"((((Pig:0.147969,Cow:0.21343)Node3:0.085099,Horse:0.165787,Cat:0.264806)Node2:0.058611,((RhMonkey:0.002015,Baboon:0.003108)Node9:0.022733,(Human:0.004349,Chimp:0.000799)Node12:0.011873)Node8:0.101856)Node1:0.340802,Rat:0.050958,Mouse:0.09795)" + } + }, + "background":0, + "fits":{ + "Nucleotide GTR":{ + "Log Likelihood":-3531.963798530155, + "estimated parameters":24, + "AIC-c":7112.142458295762, + "Equilibrium frequencies":[ + [0.3563279857397504], + [0.1837789661319073], + [0.2402852049910873], + [0.2196078431372549] + ], + "Rate Distributions":{ + "Substitution rate from nucleotide A to nucleotide C":0.5474490057204714, + "Substitution rate from nucleotide A to nucleotide G":1, + "Substitution rate from nucleotide A to nucleotide T":0.2645352969683238, + "Substitution rate from nucleotide C to nucleotide G":0.4863078374555331, + "Substitution rate from nucleotide C to nucleotide T":1.018028772244997, + "Substitution rate from nucleotide G to nucleotide T":0.3025951149895378 + }, + "display order":0 + }, + "MG94xREV with separate rates for branch sets":{ + "Log Likelihood":-3466.725508616141, + "estimated parameters":31, + "AIC-c":6996.530451399855, + "Equilibrium frequencies":[ + [0.04785168648208005], + [0.03911346079312019], + [0.04842054060317301], + [0.04069665666515385], + [0.01817010744778396], + [0.01485205303123071], + [0.01838611113045968], + [0.01545321970309948], + [0.0190138898893362], + [0.01554175184587827], + [0.01923992433904378], + [0.01617083546230154], + [0.02796925133965702], + [0.02286176927319543], + [0.02830174586718859], + [0.02378714529482007], + [0.01687870337957799], + [0.01379647304851128], + [0.01707935503225849], + [0.01435491300079667], + [0.006409133648843443], + [0.005238757839512795], + [0.006485324528555602], + [0.005450807083377185], + [0.006706760641638982], + [0.005482034985409045], + [0.006786489669196017], + [0.005703931360295163], + [0.009865581170012171], + [0.008064021368173151], + [0.009982861811889655], + [0.008390428826966174], + [0.03287895020631181], + [0.02687490503171972], + [0.033269810543681], + [0.0279627207822247], + [0.01248470225271473], + [0.01020486315060615], + [0.01263311863778268], + [0.01061792547971484], + [0.01306446616325414], + [0.01067875601941112], + 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36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186] + ] + } + }, + "branch attributes":{ + "0":{ + "Human":{ + "original name":"Human", + "Nucleotide GTR":0, + "MG94xREV with separate rates for branch sets":0, + "unconstrained":0, + "constrained":0 + }, + "Chimp":{ + "original name":"Chimp", + "Nucleotide GTR":0.001818647577470898, + "MG94xREV with separate rates for branch sets":0.001828142895085465, + "unconstrained":0.001835079043904073, + "constrained":0.001827227299324197 + }, + "Baboon":{ + "original name":"Baboon", + "Nucleotide GTR":0.001683434956773037, + "MG94xREV with separate rates for branch sets":0.001771624553208579, + "unconstrained":0.001852571561323465, + "constrained":0.001757260248005238 + }, + "RhMonkey":{ + "original name":"RhMonkey", + "Nucleotide GTR":0.003773669075849421, + "MG94xREV with separate rates for branch sets":0.003717699096857038, + "unconstrained":0.003672835047422234, + "constrained":0.00373144096412681 + }, + "Cow":{ + "original name":"Cow", + "Nucleotide GTR":0.2483322373763571, + "MG94xREV with separate rates for branch sets":0.2480141631033857, + "unconstrained":0.2960120156157274, + "constrained":0.2592686681333873 + }, + "Pig":{ + "original name":"Pig", + "Nucleotide GTR":0.187244836750842, + "MG94xREV with separate rates for branch sets":0.1926081878751187, + "unconstrained":0.2187526946336905, + "constrained":0.1943776301130502 + }, + "Horse":{ + "original name":"Horse", + "Nucleotide GTR":0.2091766851769093, + "MG94xREV with separate rates for branch sets":0.2111575880588217, + "unconstrained":0.2572135566477119, + "constrained":0.218486450878766 + }, + "Cat":{ + "original name":"Cat", + "Nucleotide GTR":0.266381043956941, + "MG94xREV with separate rates for branch sets":0.273601177885004, + "unconstrained":0.3292215104251173, + "constrained":0.28483085314287 + }, + "Mouse":{ + "original name":"Mouse", + "Nucleotide GTR":0.1181831744338598, + "MG94xREV with separate rates for branch sets":0.1201847378516324, + "unconstrained":0.1489713993010398, + "constrained":0.1233480139851019 + }, + "Rat":{ + "original name":"Rat", + "Nucleotide GTR":0.06669700444436912, + "MG94xREV with separate rates for branch sets":0.0670850471739789, + "unconstrained":0.07366345007817726, + "constrained":0.06713082546371778 + }, + "Node1":{ + "Nucleotide GTR":0.276880831396131, + "MG94xREV with separate rates for branch sets":0.2843521449765504, + "unconstrained":0.459085769955035, + "constrained":0.3115534692518958 + }, + "Node12":{ + "Nucleotide GTR":0.01783434870161725, + "MG94xREV with separate rates for branch sets":0.01788794906051452, + "unconstrained":0.01828498503175797, + "constrained":0.01770410398930177 + }, + "Node2":{ + "Nucleotide GTR":0.06617535490721377, + "MG94xREV with separate rates for branch sets":0.06447679597474805, + "unconstrained":0.0623969317369398, + "constrained":0.06097949807503514 + }, + "Node3":{ + "Nucleotide GTR":0.09884524766349881, + "MG94xREV with separate rates for branch sets":0.1017497956116402, + "unconstrained":0.1285021744856729, + "constrained":0.1065011238088613 + }, + "Node8":{ + "Nucleotide GTR":0.1061610073141143, + "MG94xREV with separate rates for branch sets":0.1093806684969149, + "unconstrained":0.1348034716617685, + "constrained":0.1118205234697939 + }, + "Node9":{ + "Nucleotide GTR":0.02568007351415409, + "MG94xREV with separate rates for branch sets":0.02593963430985144, + "unconstrained":0.02761127562964508, + "constrained":0.02639493109700932 + } + }, + "attributes":{ + "original name":{ + "attribute type":"node label", + "display order":0 + }, + "Nucleotide GTR":{ + "attribute type":"branch length", + "display order":0 + }, + "MG94xREV with separate rates for branch sets":{ + "attribute type":"branch length", + "display order":1 + }, + "unconstrained":{ + "attribute type":"branch length", + "display order":0 + }, + "constrained":{ + "attribute type":"branch length", + "display order":1 + } + } + }, + "test results":{ + "LRT":44.77492170961614, + "p-value":1.893429857346973e-10 + } +} \ No newline at end of file
--- a/test-data/fade-in1.fa Tue Nov 20 10:18:58 2018 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,50 +0,0 @@ ->Human -KEITNALETWGALGQDINLDIPSFQMSDDIDDIKWEKTSDKKKIAQFRKEKETFKEKDTY -KLFKNGTLKIKH-LKTDDQDIYKVSIYDTKGKNVLEKIFDLKIQERVSKPKISWTCINTT -LTCEVMNGTDPELNLYQDGKHLK-LSQRVITHKWTTSLSAKFKCTAGNKVSKESSVEPVS -CPEKGLD ->Chimp -EEITNALETWGALGQDINLDIPSFQMSDDIDDIKWEKTSDKKKIAQFRKEKETFKEKDTY -KLFKNGTLKIKH-LKTDDQDIYKVSIYDTKGKNVLEKIFDLKIQERVSKPKISWTCINTT -LTCEVMNGTDPELNLYQDGKHLK-LSQRVITHKWTTSLSAKFKCTAGNKVSKESSVEPVS -CPEKGLD ->Baboon -KEIRNALETWGALGQDIDLDIPSFQMSDDIDDIKWEKTSDKKKIAQFRKEKETFEEKDAY -KLFKNGTLKIKH-LKIHDQDSYKVSIYDTKGKNVLEKTFDLKIQERVSEPKISWTCINTT -LTCEVMNGTDPELNLYQDGKHLK-LSQRVITHKWTTSLSAKFKCTAGNKVSKESRMETVS -CPEKGLD ->RhMonkey -KEIRNALETWGALGQDIDLDIPSFQMSDDIDDIRWEKTSDKKKIAQFRKEKETFEEKDAY -KLFKNGTLKXKH-LKIHDQDSYKVSIYDTKGKNVLEKTFDLKIQERVSEPKISWTCINTT -LTCEVMNGTXPELNLYQDGKHVK-LSQRVITHKWTTSLSAKFKCTAGNKVSKESRMETVS -CPEKGLD ->Cow -----ESIVVWGALDHDLNLDIPGFPRSDIVADIKWNR--NKNKIARIKKDMPLHNEMDKY -DMFTNGTLKIKT-LMRNDSGLYEVEVYDSNGVNLLSKKFDLKIQEMLSGPEINWICTNRT -VSCKVENGSNPKLQLFLNTTRVKQDHGKLITYTWNTRWNKTFKCVASNHVDSKVSIEIAV -CPDEGLD ->Pig ------TEVVWGIVDQDINLDIPELSKHDNVDHIRWQK--NENKIAEFKKNKETHPVKDTY -MMLPNGTLRIKD-LKRDDEGIYKVTVYATDGKHMLERKFDLPILDGVSKPVISWSCADKT -VTCEVAEGSDPKLKLYVNKSTAREGRQKVILWKWNTKWSTLFKCVASNNASEQISMVTIS -CTGQGLD ->Horse -----KNITILGALERDINLDIPAFQMSEHVEDIQWSK--GKTKIAKFKNGSMTFQKDKTY -EVLKNGTLKIKH-LERIHEGTYKVDAYDSDGKNVLEETFHLSLLEMVSKPNISWSCTNTT -LTCEVTKGTDFELKLYLNGRMIQKSPRKVIVYKRASNQIASFKCTANNTVSEESSSVVIR -CTEKGLD ->Cat ----ANDDIVWGTLGQDINLDIPDSQ-GINIDDIHWEK--GKKKVARFQISNKPKNPDEKY -NVSMNGTLKIKH-LMLEDCDTYKVVIYDKDGKNVLDKTFQLKIQEKVSTPNIDWNCINKT -LVCKVSNGTDPELKLYVNGTSIKPVSSKFSTYRFINKQKILVNCTAENKVSKESDVKMIT -CSEKGLD ->Mouse ----RDNETIWGVLGHGITLNIPNFQMTDDIDEVRWVR--RGTLVAEFKRKKPPFLISETY -EVLANGSLKIKKPMMRNDSGTYNVMVYGTNGMTRLEKDLDVRILERVSKPMIHWECPNTT -LTCAVLQGTDFELKLYQGETLLNSLPQKNMSYQW-TNLNAPFKCEAINPVSKESKMEVVN -CPEKGLS ->Rat ----RDSGTVWGALGHGINLNIPNFQMTDDIDEVRWER--GSTLVAEFKRKMKPFLKSGAF -EILANGDLKIKN-LTRDDSGTYNVTVYSTNGTRILDKALDLRILEMVSKPMIYWECSNAT -LTCEVLEGTDVELKLYQGKEHLRSLRQKTMSYQW-TNLRAPFKCKAVNRVSQESEMEVVN -CPEKGLP
--- a/test-data/fade-in1.nhx Tue Nov 20 10:18:58 2018 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1 +0,0 @@ -(((((Pig:0.147969,Cow:0.213430):0.085099,Horse:0.165787,Cat:0.264806):0.058611,((RhMonkey:0.002015,Baboon:0.003108):0.022733,(Human:0.004349,Chimp:0.000799):0.011873):0.101856):0.340802,Rat:0.050958):0.1,Mouse:0.097950);
--- a/test-data/fade-out1.json Tue Nov 20 10:18:58 2018 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,4261 +0,0 @@ -{ - "analysis":{ - "info":"FADE (FUBAR Approach to Directional Evolution) is a fast method to test whether or not a subset of sites in a protein alignment\n evolve towards a particular residue along a subset of branches at accelerated rates compared to reference model.\n FADE uses a random effects model and latent Dirichlet allocation (LDA) - inspired approximation methods to allocate sites to rate classes.", - "version":"0.1", - "citation":"TBD", - "authors":"Sergei L Kosakovsky Pond", - "contact":"spond@temple.edu", - "requirements":"A protein alignment and a phylogenetic tree (optionally annotated with {})" - }, - "fits":{ - "LG":{ - "Log Likelihood":-2467.815473190462, - "estimated parameters":36, - "AIC-c":5009.084301536408, - "Rate Distributions":null, - "display order":0 - } - }, - "timers":{ - "Overall":{ - "timer":4940, - "order":0 - }, - "Baseline Fit":{ - "timer":2, - "order":1 - }, - "Residue A analysis":{ - "timer":223, - "order":2 - }, - "Residue C analysis":{ - "timer":237, - "order":3 - }, - "Residue D analysis":{ - "timer":219, - "order":4 - }, - "Residue E analysis":{ - "timer":227, - "order":5 - }, - "Residue F analysis":{ - "timer":246, - "order":6 - }, - "Residue G analysis":{ - "timer":229, - "order":7 - }, - "Residue H analysis":{ - "timer":333, - "order":8 - }, - "Residue I analysis":{ - "timer":225, - "order":9 - }, - "Residue K analysis":{ - "timer":249, - "order":10 - }, - "Residue L analysis":{ - "timer":243, - "order":11 - }, - "Residue M analysis":{ - "timer":239, - "order":12 - }, - "Residue N analysis":{ - "timer":239, - "order":13 - }, - "Residue P analysis":{ - "timer":232, - "order":14 - }, - "Residue Q analysis":{ - "timer":233, - "order":15 - }, - "Residue R analysis":{ - "timer":241, - "order":16 - }, - "Residue S analysis":{ - "timer":227, - "order":17 - }, - "Residue T analysis":{ - "timer":228, - "order":18 - }, - "Residue V analysis":{ - "timer":236, - "order":19 - }, - "Residue W analysis":{ - "timer":361, - "order":20 - }, - "Residue Y analysis":{ - "timer":253, - "order":21 - } - }, - "input":{ - "file name":"/Users/ryanvelazquez/Documents/FADE/CD2_AA.fna", - "number of sequences":10, - "number of sites":187, - "partition count":1, - "trees":{ - "0":"(((((Pig:0.147969,Cow:0.21343)Node4:0.085099,Horse:0.165787,Cat:0.264806)Node3:0.058611,((RhMonkey:0.002015,Baboon:0.003108)Node10:0.022733,(Human:0.004349,Chimp:0.000799)Node13:0.011873)Node9:0.101856)Node2:0.340802,Rat:0.050958)Node1:0.1,Mouse:0.09795)" - } - }, - "tested":{ - "0":{ - "Pig":"test", - "Cow":"test", - "Node4":"test", - "Horse":"test", - "Cat":"test", - "Node3":"test", - "RhMonkey":"test", - "Baboon":"test", - "Node10":"test", - "Human":"test", - "Chimp":"test", - "Node13":"test", - "Node9":"test", - "Node2":"test", - "Rat":"test", - "Node1":"test", - "Mouse":"test" - } - }, - "data partitions":{ - "0":{ - "name":"fade.filter.default", - "coverage":[ - [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186] - ] - } - }, - "branch attributes":{ - "0":{ - "Human":{ - "original name":"Human", - "LG":0 - }, - "Chimp":{ - "original name":"Chimp", - "LG":0.005463339240417791 - }, - "Baboon":{ - "original name":"Baboon", - "LG":0 - }, - "RhMonkey":{ - "original name":"RhMonkey", - "LG":0.01106333683863366 - }, - "Cow":{ - "original name":"Cow", - "LG":0.5279670970165005 - }, - "Pig":{ - "original name":"Pig", - "LG":0.4395818201950915 - }, - "Horse":{ - "original name":"Horse", - "LG":0.4477747033370751 - }, - "Cat":{ - "original name":"Cat", - "LG":0.6171324461845972 - }, - "Mouse":{ - "original name":"Mouse", - "LG":0.1087791548816105 - }, - "Rat":{ - "original name":"Rat", - "LG":0.1191428230309539 - }, - "Node1":{ - "LG":0.1219194757685215 - }, - "Node10":{ - "LG":0.04286404144093986 - }, - "Node13":{ - "LG":0.0304140306648389 - }, - "Node2":{ - "LG":0.4376507521083617 - }, - "Node3":{ - "LG":0.06897174251885127 - }, - "Node4":{ - "LG":0.2435441139963738 - }, - "Node9":{ - "LG":0.219963573055107 - } - }, - "attributes":{ - "original name":{ - "attribute type":"node label", - "display order":-1 - }, - "LG":{ - "attribute type":"branch length", - "display order":0 - } - } - }, - "settings":{ - "grid size":20, - "chains":5, - "chain-length":2000000, - "burn-in":1000000, - "samples":100, - "concentration":0.5, - "bayes factor":100, - "method":"Metropolis-Hastings" - }, - "site annotations":{ - "headers":{ - "Composition":"Aminoacid composition of site", - "Substitutions":"Substitution history on selected branches" - }, - "site annotations":{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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/fel-out1.json Mon Dec 03 14:55:19 2018 -0500 @@ -0,0 +1,450 @@ +{ + "analysis":{ + "info":"FEL (Fixed Effects Likelihood)\n estimates site-wise synonymous (α) and non-synonymous (β) rates, and\n uses a likelihood ratio test to determine if beta &neq; alpha at a site.\n The estimates aggregate information over all branches,\n so the signal is derived from\n pervasive diversification or conservation. A subset of branches can be selected\n for testing as well, in which case an additional (nuisance) parameter will be\n inferred -- the non-synonymous rate on branches NOT selected for testing.\n Multiple partitions within a NEXUS file are also supported\n for recombination - aware analysis.\n ", + "version":"2.00", + "citation":"Not So Different After All: A Comparison of Methods for Detecting Amino Acid Sites Under Selection (2005). _Mol Biol Evol_ 22 (5): 1208-1222", + "authors":"Sergei L Kosakovsky Pond and Simon DW Frost", + "contact":"spond@temple.edu", + "requirements":"in-frame codon alignment and a phylogenetic tree" + }, + "input":{ + "file name":"/Users/stephenshank/Documents/Data/Datamonkey/CD2.fasta", + "number of sequences":10, + "number of sites":187, + "partition count":1, + "trees":{ + "0":"((((Pig:0.147969,Cow:0.21343)Node3:0.085099,Horse:0.165787,Cat:0.264806)Node2:0.058611,((RhMonkey:0.002015,Baboon:0.003108)Node9:0.022733,(Human:0.004349,Chimp:0.000799)Node12:0.011873)Node8:0.101856)Node1:0.340802,Rat:0.050958,Mouse:0.09795)" + } + }, + "fits":{ + "Nucleotide GTR":{ + "Log Likelihood":-3531.963798530155, + "estimated parameters":24, + "AIC-c":7112.142458295762, + "Equilibrium frequencies":[ + [0.3563279857397504], + [0.1837789661319073], + [0.2402852049910873], + [0.2196078431372549] + ], + "Rate Distributions":{ + "Substitution rate from nucleotide A to nucleotide C":0.5474490057204714, + "Substitution rate from nucleotide A to nucleotide G":1, + "Substitution rate from nucleotide A to nucleotide T":0.2645352969683238, + "Substitution rate from nucleotide C to nucleotide G":0.4863078374555331, + "Substitution rate from nucleotide C to nucleotide T":1.018028772244997, + "Substitution rate from nucleotide G to nucleotide T":0.3025951149895378 + }, + "display 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"order":2 + } + }, + "tested":{ + "0":{ + "Pig":"test", + "Cow":"test", + "Node3":"test", + "Horse":"test", + "Cat":"test", + "Node2":"test", + "RhMonkey":"test", + "Baboon":"test", + "Node9":"test", + "Human":"test", + "Chimp":"test", + "Node12":"test", + "Node8":"test", + "Node1":"test", + "Rat":"test", + "Mouse":"test" + } + }, + "data partitions":{ + "0":{ + "name":"fel.filter.default", + "coverage":[ + [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/slac-out1.json Mon Dec 03 14:55:19 2018 -0500 @@ -0,0 +1,2076 @@ +{ + "analysis":{ + "info":"SLAC (Single Likelihood Ancestor Counting)\n uses a maximum likelihood ancestral state reconstruction\n and minimum path substitution counting to estimate site - level\n dS and dN,\n and applies a simple binomial - based test to test\n if dS differs drom dN.\n The estimates aggregate information over all branches,\n so the signal is derived from\n pervasive diversification or conservation. A subset of branches can be selected\n for testing as well.\n Multiple partitions within a NEXUS file are also supported\n for recombination - aware analysis.\n ", + "version":"2.00", + "citation":"Not So Different After All: A Comparison of Methods for Detecting Amino Acid Sites Under Selection (2005). _Mol Biol Evol_ 22 (5): 1208-1222", + "authors":"Sergei L Kosakovsky Pond and Simon DW Frost", + "contact":"spond@temple.edu", + "requirements":"in-frame codon alignment and a phylogenetic tree" + }, + "fits":{ + "Nucleotide GTR":{ + "Log Likelihood":-3531.963798530155, + "estimated parameters":24, + "AIC-c":7112.142458295762, + "Equilibrium frequencies":[ + [0.3563279857397504], + [0.1837789661319073], + [0.2402852049910873], + [0.2196078431372549] + ], + "Rate Distributions":{ + "Substitution rate from nucleotide A to nucleotide C":0.5474490057204714, + "Substitution rate from nucleotide A to nucleotide G":1, + "Substitution rate from nucleotide A to nucleotide T":0.2645352969683238, 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"non-synonymous/synonymous rate ratio for *test*":[ + [0.9952474740528205, 1] + ] + }, + "display order":1 + } + }, + "timers":{ + "Total time":{ + "timer":62, + "order":0 + }, + "Model fitting":{ + "timer":12, + "order":1 + }, + "Primary SLAC analysis":{ + "timer":1, + "order":2 + }, + "Ancestor sampling analysis":{ + "timer":31, + "order":3 + } + }, + "tested":{ + "0":{ + "Pig":"test", + "Cow":"test", + "Node3":"test", + "Horse":"test", + "Cat":"test", + "Node2":"test", + "RhMonkey":"test", + "Baboon":"test", + "Node9":"test", + "Human":"test", + "Chimp":"test", + "Node12":"test", + "Node8":"test", + "Node1":"test", + "Rat":"test", + "Mouse":"test" + } + }, + "input":{ + "file name":"/Users/stephenshank/Documents/Data/Datamonkey/CD2.fasta", + "number of sequences":10, + "number of sites":187, + "partition count":1, + "trees":{ + 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than the observed value, with P<sub>s</sub> probability of success"], + ["P [dN/dS < 1]", "Binomial probability that S is no less than the observed value, with P<sub>s</sub> probability of success"], + ["Total branch length", "The total length of branches contributing to inference at this site, and used to scale dN-dS"] + ], + "content":{ + "0":{ + "by-site":{ + "AVERAGED":[ + [0.2809131436171227, 1.06994318386257, 0, 1, 0.2079519027321176, 0, 0.9346290673023681, 0.6350347963273018, 0.7920480972678824, 1, 1.471776149445287], + [0.3290227687460932, 1.026200594208168, 0, 0, 0.2427812106403287, 0, 0, 0, 1, 1, 1.471776149445287], + [0.3703911791056881, 1.048920776466932, 0, 0, 0.2609653062185713, 0, 0, 0, 1, 1, 1.471776149445287], + [0.8751747269143946, 1.819602638122014, 1, 3, 0.3247669875327791, 1.142628973674437, 1.648711612715762, 0.3587804935244141, 0.6078191211667433, 0.7921190618878826, 1.410563417397406], + [0.5713557601328257, 2.784813888552667, 1, 4, 0.1702404288044879, 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