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	<title><![CDATA[BOL: Related items]]></title>
	<link>https://bioinformaticsonline.com/related/43999?offset=220</link>
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	<item>
	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/38743/molinspiration-broad-range-of-cheminformatics-software-tools-supporting-molecule-manipulation</guid>
	<pubDate>Sun, 20 Jan 2019 05:32:40 -0600</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/38743/molinspiration-broad-range-of-cheminformatics-software-tools-supporting-molecule-manipulation</link>
	<title><![CDATA[molinspiration: broad range of cheminformatics software tools supporting molecule manipulation]]></title>
	<description><![CDATA[<p><span>Molinspiration offers&nbsp;</span><a href="https://www.molinspiration.com/products.html">broad range of cheminformatics software tools</a><span>&nbsp;supporting molecule manipulation and processing, including SMILES and SDfile conversion, normalization of molecules, generation of tautomers, molecule fragmentation, calculation of various molecular properties needed in QSAR, molecular modelling and drug design, high quality molecule depiction, molecular database tools supporting substructure and similarity searches. Our products support also fragment-based virtual screening, bioactivity prediction and data visualization. Molinspiration tools are written in Java, therefore can be used practically on any computer platform.</span></p><p>Address of the bookmark: <a href="https://www.molinspiration.com/" rel="nofollow">https://www.molinspiration.com/</a></p>]]></description>
	<dc:creator>BioJoker</dc:creator>
</item>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/news/view/42023/encode3-a-collection-of-research-articles-and-related-content-describing-the-encyclopedia-of-dna-elements-its-datasets-and-tools</guid>
	<pubDate>Sat, 08 Aug 2020 08:25:21 -0500</pubDate>
	<link>https://bioinformaticsonline.com/news/view/42023/encode3-a-collection-of-research-articles-and-related-content-describing-the-encyclopedia-of-dna-elements-its-datasets-and-tools</link>
	<title><![CDATA[ENCODE3: A collection of research articles and related content describing the Encyclopedia of DNA Elements, its datasets and tools.]]></title>
	<description><![CDATA[<p>How cells, tissues and organisms interpret the information encoded in the genome has vital implications for our understanding of development, health and disease. Launched in 2003, the ENCyclopedia Of DNA Elements (ENCODE) project has the aim of mapping the functional elements in the human genome (later expanded to include model organisms).</p><p>During the first phase of ENCODE, published in 2007, microarray-based technologies were used to detect regions associated with transcription factors, certain histone modifications and open chromatin within a pre-specified 1% of the human genome.</p><p>ENCODE&rsquo;s second phase saw a switch to sequencing-based technologies, the addition of new assay types and the analysis of functional elements genome-wide, described in a collection of research articles in 2012.</p><p><span>The&nbsp;</span><a href="https://www.nature.com/articles/s41586-020-2493-4">Encyclopedia paper of ENCODE 3</a><span>, published in&nbsp;</span><em>Nature</em><span>, gives an overview of the various assays that were performed in human and mouse cell lines and tissues and describes a Registry of human and mouse candidate&nbsp;</span><em>cis</em><span>-regulatory elements (cCREs).</span></p><p>More at&nbsp;<a href="https://www.nature.com/immersive/d42859-020-00027-2/index.html">https://www.nature.com/immersive/d42859-020-00027-2/index.html</a></p>]]></description>
	<dc:creator>Shruti Paniwala</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/blog/view/42936/ancient-whole-genome-duplication-wgd-detection-tools</guid>
	<pubDate>Sun, 07 Mar 2021 00:32:44 -0600</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/42936/ancient-whole-genome-duplication-wgd-detection-tools</link>
	<title><![CDATA[Ancient whole genome duplication (WGD) detection tools !]]></title>
	<description><![CDATA[<p>There are two methods for ancient WGD detection, one is collinearity analysis, and the other is based on the Ks distribution map. Among them, Ks is defined as the average number of synonymous substitutions at each synonymous site, and there is also a Ka corresponding to it, which refers to the average number of non-synonymous substitutions at each non-synonymous site.</p><p>At present, some people have posted articles about the analysis process of WGD. I searched for the keyword "wgd pipeline" and found the following:</p><p><strong>GenoDup: https:// github.com/MaoYafei/GenoDup-Pipeline</strong><br /><strong>https://peerj.com/articles/6303/</strong><br /><strong>WGDdetector: https:// github.com/yongzhiyang2 012/WGDdetector</strong><br /><strong>https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-019-2670-3</strong><br /><strong>wgd: https:// github.com/arzwa/wgd</strong><br /><strong>https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-016-1142-2#Sec1</strong><br /><strong>https://bmcbiol.biomedcentral.com/articles/10.1186/s12915-017-0399-x</strong><br /><strong>GeNoGAP https://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-016-1142-2</strong><br /><strong>https://bmcbiol.biomedcentral.com/articles/10.1186/s12915-017-0399-x</strong><br /><strong>https://github.com/dfguan/purge_dups</strong><br /><strong>https://www.biorxiv.org/content/10.1101/2020.01.24.917997v1</strong></p><p>This article introduces the usage of wgd.</p><p>Wgd cannot be installed directly with bioconda at present, so it is a little troublesome to install, because it depends on a lot of software. wgd depends on the following software</p><p><strong>BLAST</strong><br /><strong>MCL</strong><br /><strong>MUSCLE/MAFFT/PRANK</strong><br /><strong>PAML</strong><br /><strong>PhyML/FastTree</strong><br /><strong>i-ADHoRe</strong></p><p>But the good news is that most of the software it depends on can be installed with bioconda</p><blockquote><p>conda create -n wgd python=3.5 blast mcl muscle mafft prank paml fasttree cmake libpng mpi=1.0=mpich<br />conda activate wgd</p></blockquote><p>Here mpi=1.0=mpich is selected, because i-adhore depends on mpich. If openmpi is installed, an error will appear while loading shared libraries: libmpi_cxx.so.40: cannot open shared object file: No such file or directory</p><p>After that, the installation is much simpler</p><blockquote><p>git clone https://github.com/arzwa/wgd.git<br />cd wgd<br />pip install .<br />pip install git+https://github.com/arzwa/wgd.git<br />For i-ADHoRe, you need to register at http:// bioinformatics.psb.ugent.be /webtools/i-adhore/licensing/Agree to the license to download i-ADHoRe-3.0</p></blockquote><p>Since my miniconda3 installed ~/opt/, the installation path is so~/opt/miniconda3/envs/wgd/</p><blockquote><p>tar -zxvf i-adhore-3.0.01.tar.gz<br />cd i-adhore-3.0.01<br />mkdir -p build &amp;&amp; cd build<br />cmake .. -DCMAKE_INSTALL_PREFIX=~/opt/miniconda3/envs/wgd/<br />make -j 4 <br />make insatall</p></blockquote><p>Take the sugarcane genome Saccharum spontaneum L as an example. The genome is 8-ploid with 32 chromosomes (2n = 4x8 = 32)</p><p><strong>Download the tutorial for CDS and GFF annotation files</strong></p><blockquote><p><strong>mkdir -p wgd_tutorial &amp;&amp; cd wgd_tutorial</strong><br /><strong>wget http://www.life.illinois.edu/ming/downloads/Spontaneum_genome/Sspon.v20190103.cds.fasta.gz</strong><br /><strong>wget http://www.life.illinois.edu/ming/downloads/Spontaneum_genome/Sspon.v20190103.gff3.gz</strong><br /><strong>gunzip *.gz</strong></p></blockquote><p>First conda activate wgdstart our analysis environment, and then start the analysis</p><p>Step 1 : Use to wgd mclidentify homologous genes in the genome</p><blockquote><p>wgd mcl -n 20 --cds --mcl -s Sspon.v20190103.cds.fasta -o Sspon_cds.out</p></blockquote><p>Step 2 : Use to wgd ksdbuild Ks distribution</p><blockquote><p>wgd ksd --n_threads 80 Sspon_cds.out/Sspon.v20190103.cds.fasta.blast.tsv.mcl Sspon.v20190103.cds.fasta</p></blockquote><p>Step 3 : If the quality of the genome is good, then wgd syncollinearity analysis can be used . It can help us find the collinearity block in the genome and the corresponding anchor point</p><blockquote><p>wgd syn --feature gene --gene_attribute ID \<br /> -ks wgd_ksd/Sspon.v20190103.cds.fasta.ks.tsv \<br /> Sspon.v20190103.gff3 Sspon_cds.out/Sspon.v20190103.cds.fasta.blast.tsv.mcl</p></blockquote><p>&nbsp;For more reading - There are 9 sub-modules in WGD</p><ul>
<li><span>kde: KDE fitting to the Ks distribution</span></li>
<li><span>ksd: Ks distribution construction</span></li>
<li><span>mcl: BLASP comparison of All-vs-ALl + MCL classification analysis.</span></li>
<li><span><span>mix: Hybrid modeling of Ks distribution.</span></span></li>
<li><span>pre: preprocess the CDS file</span></li>
<li><span>syn: Call I-ADHoRe 3.0 to use GFF files for collinearity analysis</span></li>
<li><span>viz: draw histogram and density plot</span></li>
<li><span>wf1: Ks standard analysis procedure of the whole genome paranome (paranome), call mcl, ksd and syn</span></li>
<li><span>wf2: Ks standard analysis procedure of one-vs-one homologous gene (ortholog), call wcl and kSD</span></li>
</ul>]]></description>
	<dc:creator>Rahul Nayak</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/43728/short-read-assembly-using-spades</guid>
	<pubDate>Mon, 31 Jan 2022 07:18:16 -0600</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/43728/short-read-assembly-using-spades</link>
	<title><![CDATA[Short-read assembly using Spades !]]></title>
	<description><![CDATA[<h2 id="short-read-assembly-a-comparison">If we only had Illumina reads, we could also assemble these using the tool Spades.</h2><p>You can try this here, or try it later on your own data.</p><h2 id="get-data">Get data</h2><p>We will use the same Illumina data as we used above:</p><ul>
<li>illumina_R1.fastq.gz: the Illumina forward reads</li>
<li>illumina_R2.fastq.gz: the Illumina reverse reads</li>
</ul><h2 id="assemble">Assemble</h2><p>Run Spades:</p><div><pre>spades.py -1 illumina_R1.fastq.gz -2 illumina_R2.fastq.gz --careful --cov-cutoff auto -o spades_assembly_all_illumina
</pre></div><ul>
<li><code>-1</code>&nbsp;is input file of forward reads</li>
<li><code>-2</code>&nbsp;is input file of reverse reads</li>
<li><code>--careful</code>&nbsp;minimizes mismatches and short indels</li>
<li><code>--cov-cutoff auto</code>&nbsp;computes the coverage threshold (rather than the default setting, &ldquo;off&rdquo;)</li>
<li><code>-o</code>&nbsp;is the output directory</li>
</ul><h2 id="results">Results</h2><p>Move into the output directory and look at the contigs:</p><div><pre>infoseq contigs.fasta</pre></div>]]></description>
	<dc:creator>Abhimanyu Singh</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/44377/mitochondrial-genome-assembly-tools</guid>
	<pubDate>Wed, 06 Sep 2023 00:37:18 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/44377/mitochondrial-genome-assembly-tools</link>
	<title><![CDATA[Mitochondrial genome assembly tools !]]></title>
	<description><![CDATA[<p>Mitochondrial genome assembly tools are specialized software and algorithms designed to accurately reconstruct the mitochondrial genome (mitogenome) from sequencing data, typically obtained through techniques like next-generation sequencing (NGS). The mitochondrial genome is relatively small compared to the nuclear genome, making it an ideal target for assembly. Here are some commonly used mitochondrial genome assembly tools:</p><p><strong>MitoFinder:</strong> Mitofinder is a pipeline to assemble mitochondrial genomes and annotate mitochondrial genes from trimmed read sequencing data.</p><p><strong>MitoHiFi:</strong> a python pipeline for mitochondrial genome assembly from PacBio high fidelity reads</p><p>MITObim: MITObim is a tool specifically developed for the iterative assembly of mitochondrial genomes. It starts with a reference mitogenome and iteratively refines the assembly using the read data.</p><p><strong>MITOS:</strong> MITOS is a web-based platform that provides a pipeline for annotating mitochondrial genomes. It integrates multiple software tools for assembly, annotation, and visualization of mitogenomes.</p><p><strong>MIRA:</strong> MIRA (Mimicking Intelligent Read Assembly) is a versatile genome assembly tool that can be used for mitochondrial genome assembly. It supports various sequencing technologies and allows for reference-based or de novo assembly.</p><p><strong>NOVOPlasty:</strong> NOVOPlasty is a user-friendly tool designed for de novo assembly of organelle genomes, including mitochondria. It utilizes a seed-and-extend algorithm and is suitable for both short-read and long-read data.</p><p><strong>MITOS2:</strong> MITOS2 is an updated version of the MITOS pipeline, which automates the annotation of mitochondrial genomes. It provides improved accuracy and additional features for mitochondrial genome analysis.</p><p><strong>GetOrganelle:</strong> While primarily designed for chloroplast genome assembly, GetOrganelle can also be used for mitochondrial genome assembly. It is particularly useful for dealing with high-throughput sequencing data.</p><p><strong>SPAdes:</strong> SPAdes (St. Petersburg genome assembler) is a versatile genome assembly tool that can be employed for mitochondrial genome assembly, especially when dealing with complex datasets that may contain nuclear mitochondrial DNA sequences (numts).</p><p><strong>IDBA-UD:</strong> IDBA-UD (Iterative De Bruijn Graph De Novo Assembler) is another de novo assembly tool that can be used for mitochondrial genome assembly, especially in cases with relatively low coverage.</p><p><strong>Velvet:</strong> Velvet is a de novo assembly tool that can be applied to mitochondrial genome assembly, especially when working with short-read data.</p><p>When selecting a mitochondrial genome assembly tool, it's important to consider the specific characteristics of your sequencing data, such as read length and coverage, as well as the complexity of the mitochondrial genome. Additionally, some tools are better suited for specific organisms or research objectives, so choosing the right tool will depend on your particular project requirements.</p>]]></description>
	<dc:creator>Abhi</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/26380/hicdat</guid>
	<pubDate>Fri, 12 Feb 2016 05:23:44 -0600</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/26380/hicdat</link>
	<title><![CDATA[HiCdat]]></title>
	<description><![CDATA[<p>HiCdat: a fast and easy-to-use Hi-C data analysis tool</p>
<p>HiCdat is easy-to-use and provides solutions starting from aligned reads up to in-depth analyses. Importantly, HiCdat is focussed on the analysis of larger structural features of chromosomes, their correlation to genomic and epigenomic features, and on comparative studies. It uses simple input and output formats and can therefore easily be integrated into existing workflows or combined with alternative tools.</p>
<p>More at http://bmcbioinformatics.biomedcentral.com/articles/10.1186/s12859-015-0678-x</p><p>Address of the bookmark: <a href="https://github.com/MWSchmid/HiCdat" rel="nofollow">https://github.com/MWSchmid/HiCdat</a></p>]]></description>
	<dc:creator>Jit</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/28809/kissplice</guid>
	<pubDate>Tue, 16 Aug 2016 08:34:19 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/28809/kissplice</link>
	<title><![CDATA[KisSplice]]></title>
	<description><![CDATA[<p>KisSplice is a software that enables to analyse RNA-seq data with or without a reference genome. It is an exact local transcriptome assembler that allows to identify SNPs, indels and alternative splicing events. It can deal with an arbitrary number of biological conditions, and will quantify each variant in each condition. It has been tested on Illumina datasets of up to 1G reads. Its memory consumption is around 5Gb for 100M reads.</p>
<p>KisSplice is not a full-length transcriptome assembler. This means that it will output the variable regions of the transcripts, not reconstruct them entirely.</p>
<p>KisSplice comes as a workflow, with several possible post-treatments meant to facilitate the analysis of the results. The choice of the post-treatment depends on the availability of a reference genome/transcriptome and on the need to perform a differential analysis, as summarised in the following table.</p><p>Address of the bookmark: <a href="http://kissplice.prabi.fr/" rel="nofollow">http://kissplice.prabi.fr/</a></p>]]></description>
	<dc:creator>Jit</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/28200/machine-learning</guid>
	<pubDate>Fri, 01 Jul 2016 12:57:12 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/28200/machine-learning</link>
	<title><![CDATA[Machine Learning !!!]]></title>
	<description><![CDATA[<p>In machine learning, computers apply&nbsp;<strong>statistical learning</strong>&nbsp;techniques to automatically identify patterns in data. These techniques can be used to make highly accurate predictions.</p>
<p><em>Keep scrolling.</em>&nbsp;Using a data set about homes, we will create a machine learning model to distinguish homes in New York from homes in San Francisco.</p><p>Address of the bookmark: <a href="http://www.r2d3.us/visual-intro-to-machine-learning-part-1/" rel="nofollow">http://www.r2d3.us/visual-intro-to-machine-learning-part-1/</a></p>]]></description>
	<dc:creator>Gudiya Pal</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/28417/wisescaffolder</guid>
	<pubDate>Wed, 13 Jul 2016 08:08:57 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/28417/wisescaffolder</link>
	<title><![CDATA[WiseScaffolder]]></title>
	<description><![CDATA[<p>Function</p>
<p>WiseScaffolder is a stand-alone semi-automatic application for genome scaffolding of pre-assembled contigs using mate-pair data. It also produces editable scaffold maps, allowing either to build gapped scaffolds or usable as a common thread for the manual improvement of scaffolds.</p>
<p>Description&nbsp;</p>
<p>WiseScaffolder includes 4 subcommands: dumpconfig generates a configuration file that notably specifies the average insert size of the mate-pair library preprocess allows the detection and correction of chimerae, the estimation of contigs copy number and produces valuable outputs for the manual improvement of scaffolds scaffold constitutes the central scaffold-builder and comprises two modules:</p>
<p>i) the interative_scaffold_extender, which works with big, unambiguous contigs, or when they run out, single copy contigs, and</p>
<p>ii) the small_contig_inserter, which inserts the small contigs within scaffolds buildfasta converts the scaffold(s) map(s) into Fasta sequences.</p><p>Address of the bookmark: <a href="http://abims.sb-roscoff.fr/wisescaffolder" rel="nofollow">http://abims.sb-roscoff.fr/wisescaffolder</a></p>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/29018/crossmap</guid>
	<pubDate>Mon, 05 Sep 2016 04:07:38 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/29018/crossmap</link>
	<title><![CDATA[CrossMap]]></title>
	<description><![CDATA[<ul>
<li>CrossMap is a program for convenient conversion of genome coordinates (or annotation files) between&nbsp;<em>different assemblies</em>&nbsp;(such as Human&nbsp;<a href="http://www.ncbi.nlm.nih.gov/assembly/2928/">hg18 (NCBI36)</a>&nbsp;&lt;&gt;&nbsp;<a href="http://www.ncbi.nlm.nih.gov/assembly/2758/">hg19 (GRCh37)</a>, Mouse&nbsp;<a href="http://www.ncbi.nlm.nih.gov/assembly/165668/">mm9 (MGSCv37)</a>&nbsp;&lt;&gt;&nbsp;<a href="http://www.ncbi.nlm.nih.gov/assembly/327618/">mm10 (GRCm38)</a>).</li>
<li>It supports most commonly used file formats including SAM/BAM, Wiggle/BigWig, BED, GFF/GTF, VCF.</li>
<li>CrossMap is designed to liftover genome coordinates between assemblies. It&rsquo;s&nbsp;<em>not</em>&nbsp;a program for aligning sequences to reference genome.</li>
<li>We&nbsp;<em>do not</em>&nbsp;recommend using CrossMap to convert genome coordinates between species.</li>
</ul><p>Address of the bookmark: <a href="http://crossmap.sourceforge.net/" rel="nofollow">http://crossmap.sourceforge.net/</a></p>]]></description>
	<dc:creator>Abhimanyu Singh</dc:creator>
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