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	<title><![CDATA[BOL: Related items]]></title>
	<link>https://bioinformaticsonline.com/related/31156?offset=1340</link>
	<atom:link href="https://bioinformaticsonline.com/related/31156?offset=1340" rel="self" type="application/rss+xml" />
	<description><![CDATA[]]></description>
	
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	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein</guid>
	<pubDate>Wed, 25 Apr 2018 04:35:57 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/36384/binding-site-prediction-in-protein</link>
	<title><![CDATA[Binding Site Prediction in Protein !]]></title>
	<description><![CDATA[<p><span>The interaction between proteins and other molecules is fundamental to all biological functions. In this section we include tools that can assist in prediction of interaction sites on protein surface and tools for predicting the structure of the intermolecular complex formed between two or more molecules (docking).</span></p><h4>Pockets Identification</h4><p><a href="http://sts.bioengr.uic.edu/castp/" target="_blank">CASTp</a></p><div style="text-align: justify;">Automatic Identification of pockets and cavities in proteins structure, and quantitation of their volumes using Delaunay triangulation. Available also as PyMOL plugin</div><p><a href="http://www.bioinformatics.leeds.ac.uk/pocketfinder/" target="_blank">Pocket-Finder</a></p><div style="text-align: justify;">Automatic identification of pockets and cavities in proteins structure, and quantitation of their volumes.</div><p><a href="http://gecco.org.chemie.uni-frankfurt.de/pocketpicker/index.html" target="_blank">PocketPicker</a></p><div style="text-align: justify;">Grid-based technique for the analysis of protein pockets. PocketPicker available as a plugin for&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/pymol.htm">PyMOL</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><h4>Binding Site Prediction</h4>
<p><a href="http://consurf.tau.ac.il/" target="_blank">ConSurf</a></p>
</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Identification of functional regions in proteins by surface-mapping of phylogenetic information</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://www-cryst.bioc.cam.ac.uk/~crescendo/crescendo.php" target="_blank">CRESCENDO</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Identification protein interaction sites. It uses sequence conservation patterns in homologous proteins to distinguish between residues that are conserved due to structural restraints from those due to functional restraints.&nbsp;&nbsp;</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><strong>Ligand Binding Sites</strong></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://www.sbg.bio.ic.ac.uk/~3dligandsite/" target="_blank">3DLigandSite</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">The server utilizes protein-structure prediction to provide structural models of the binding site. Ligands bound to structures are superimposed onto the model and use to predict the binding site.</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">F<a href="http://cssb.biology.gatech.edu/skolnick/files/FINDSITE/" target="_blank">INDSITE</a></div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">A threading-based method for ligand-binding site prediction and functional annotation based on binding-site similarity across superimposed groups of threading templates.</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">
<p><a href="http://scoppi.biotec.tu-dresden.de/pocket/" target="_blank">LIGSITE<sup>csc</sup></a></p>
<div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;">Prediction of binding site by pocket identification using the Connolly surface and degree of conservation</div>
<p><a href="http://metapocket.eml.org/" target="_blank"></a></p>
</div><div style="text-align: justify;">&nbsp;</div><div style="text-align: justify;"><a href="http://metapocket.eml.org/" target="_blank">metaPocket</a>A meta server for ligand-binding site prediction. metaPocket use&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#ligsite">LIGSITE<sup>csc</sup></a>,&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#pass">PASS</a>,&nbsp;<a href="https://bip.weizmann.ac.il/toolbox/structure/binding.htm#qsite">Q-SiteFinder</a>&nbsp;and&nbsp;<a href="http://www.biochem.ucl.ac.uk/~roman/surfnet/surfnet.html" target="_blank">SURFNET</a></div>]]></description>
	<dc:creator>Poonam Mahapatra</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/44529/contigextender-a-new-approach-to-improving-de-novo-sequence-assembly-for-viral-metagenomics-data</guid>
	<pubDate>Wed, 08 May 2024 07:32:45 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/44529/contigextender-a-new-approach-to-improving-de-novo-sequence-assembly-for-viral-metagenomics-data</link>
	<title><![CDATA[ContigExtender: a new approach to improving de novo sequence assembly for viral metagenomics data]]></title>
	<description><![CDATA[<p dir="auto">ContigExtender, was developed to extend contigs, complementing de novo assembly. ContigExtender employs a novel recursive Overlap Layout Candidates (r-OLC) strategy that explores multiple extending paths to achieve longer and highly accurate contigs. ContigExtender is effective for extending contigs significantly in in silico synthesized and real metagenomics datasets.</p>
<p dir="auto">More at&nbsp;https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7953547/</p>
<p dir="auto"><a href="https://camo.githubusercontent.com/72dc78177cd84dd0c667a2922a9fd984fb548b5ec94b11f9a547211a4adba3b1/68747470733a2f2f692e696d6775722e636f6d2f7734516944496a2e706e67" target="_blank"><img src="https://camo.githubusercontent.com/72dc78177cd84dd0c667a2922a9fd984fb548b5ec94b11f9a547211a4adba3b1/68747470733a2f2f692e696d6775722e636f6d2f7734516944496a2e706e67" alt="extension process" title="extension process" style="border: 0px;"></a></p><p>Address of the bookmark: <a href="https://github.com/dengzac/contig-extender" rel="nofollow">https://github.com/dengzac/contig-extender</a></p>]]></description>
	<dc:creator>LEGE</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/pages/view/37590/parallel-processing-with-perl</guid>
	<pubDate>Sat, 25 Aug 2018 11:32:40 -0500</pubDate>
	<link>https://bioinformaticsonline.com/pages/view/37590/parallel-processing-with-perl</link>
	<title><![CDATA[Parallel Processing with Perl !]]></title>
	<description><![CDATA[<p>Here is a small tutorial on how to make best use of multiple processors for bioinformatics analysis. One best way is using perl threads and forks. Knowing how these threads and forks work is very important before implementing them. Getting to know how these work would be really useful before reading this tutorial.</p><p>Many times in bioinformatics we need to deal with huge datasets which&nbsp; are more than 100GB size. The traditional way to analysis a file is using the while loop</p><p>while (FILE){</p><p>Do something;</p><p>}</p><p>This is very slow(since we are using only one processor) and if we have 500 million lines in the dataset it takes more than a day to iterate through the whole dataset. So how do we make best use of all our processors and get the work done quickly?</p><p>Here is a very simple and efficient technique with perl which i have been using. I am&nbsp; more inclined towards using perl fork than perl threads.</p><p>One of the oldest way to fork is</p><blockquote><p>my $fork = fork();<br />if($fork){&nbsp;&nbsp;&nbsp;<br />push (@childs,$fork);&nbsp;<br />}<br />elseif($fork==0){<br /><strong>your code here;</strong><br />exit(0);<br />}<br />else{die &ldquo;Couldnt fork : $!&rdquo;;}</p><p>## wait for the child process to finish<br />foreach(@childs){<br />my $tmp=waitid($_,0);<br />}</p></blockquote><p>what a fork does is it creates a child process and takes the variables and code with it to analyze it separately (detached from the parent process) and thus a separate process is created( which usually runs on a separate processor). Thats it!! One big disadvantage of forking is its very difficult to share variables among the different processes. I will show you how to do it easily but still it has its own drawbacks.</p><blockquote><p>Okie, now if you really do not want to use fork in your code, that&rsquo;s okie too..There are many useful modules which do it for you very efficiently. One really useful module is Parallel::ForkManager. You can use Parallel::ForkManager to manage the number of forks you want to generate (number of processors you want to use).</p><p><strong>Simple usage:</strong><br />use Parallel::ForkManager;<br />my $max_processors=8;<br />my $fork= new Parallel::ForkManager($max_processors);<br />foreach (@dna) {<br />$fork-&gt;start and next; # do the fork<br /><strong>you code here;</strong><br />$fork-&gt;finish; # do the exit in the child process<br />}<br />$pm-&gt;wait_all_children;</p></blockquote><p>so you will be generating 8 forks which do the same thing for your each element of array. when one child finishes, Parallel::ForkManager generates a new one and thus you will be using all your processors to analyze the data. Now, if you have generated 8 child processes and want to write the data to one file. You need to lock the file to do this, because you will have problems with the buffering. You can lock the file using flock command.</p><blockquote><p>open (my $QUAL, &ldquo;myfile.txt&rdquo;);<br />flock $QUAL, LOCK_EX or die &ldquo;cant lock file $!&rdquo;;<br />print $QUAL &ldquo;$output&rdquo;;<br />flock $QUAL, LOCK_UN or die &ldquo;$!&rdquo;;<br />close $QUAL;</p></blockquote><p>I would not suggest using flock when dealing with multiple processes because it will decrease the processing efficiency( each child process must wait for the lock to be released by the other child process). Instead, I would suggest each fork writing to a separate file and after the processing just concatenating them.</p><p><strong>Putting it all together, If you have 100GB data you can do this</strong></p><blockquote><p><strong>step 1</strong>&nbsp;: split the dataset equally according to number of processors you have. this may take a few hours(about 2-3 hrs for 100GB file)<br />You can use unix &ldquo;split&rdquo; command for this<br />for example:<br />my $number_split=int($number_of_entries_in_your_dataset/$max_processors);<br />my $split_Files=`split -l $number_split &ldquo;your_file.fasta&rdquo; &ldquo;file_name&rdquo;`;</p><p><strong>step2</strong>: open you directory comtaining you split files and start Parallel::ForkManager.<br /><strong>For example:</strong><br />opendir(DIRECTORY, $split_files_directory) or die $!; ### open the directory<br />my $fork= new Parallel::ForkManager($max_processors);<br />while (my $file = readdir(DIRECTORY)) { ### read the directory<br />if($file=~/^\./){next;}<br />print $file,&rdquo;\n&rdquo;;<br />########## Start fork ##########<br />my $pid= $super_fork-&gt;start and next;<br /><strong>Whatever you want to do with the split file ;</strong><br /><strong>analyze my piece of $file;</strong><br />######### end fork ###############<br />$super_fork-&gt;finish;<br />}<br />$super_fork-&gt;wait_all_children;</p></blockquote><p>So basically each processor will be active with its piece of data (split file) and thus you have created 8 processes at one time which run without interfering with the other process. I again will not suggest writing output from each child process to one file(for reasons above). Write output from each fork to a separate file and finally concatenate them. Thats it, you have just increased your program speed by 8 times!! Isnt it easy?</p><p><strong>Note:</strong><br />You may worry about concatenation of the output each child generates, since it does take some time(remember 100GB). I think now you can use a mysql database LOAD DATA LOCAL INFILE command to load all the files into a single table(Should take about 3hrs for 100Gb dataset) and then export the whole table into one file. This should be faster than just concatenating them using &ldquo;cat&rdquo; command.(correct me if I am wrong)</p><p>Or much simpler way is to use pipes</p><p>cat output_dir/* | my_pipe or my_pipe &lt;(file1) final_file;</p><p>Thats it guys!! Enjoy programming and please do comment. I am not a computer scientist so forgive me for any mistakes and if any please report them. Thank you.</p>]]></description>
	<dc:creator>Rahul Nayak</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/44513/mike-an-ultrafast-assembly-and-alignment-free-approach-for-phylogenetic-tree-construction</guid>
	<pubDate>Mon, 08 Apr 2024 06:19:52 -0500</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/44513/mike-an-ultrafast-assembly-and-alignment-free-approach-for-phylogenetic-tree-construction</link>
	<title><![CDATA[MIKE: an ultrafast, assembly-, and alignment-free approach for phylogenetic tree construction]]></title>
	<description><![CDATA[<p><span>MIKE (MinHash-based&nbsp;</span><em>k</em><span>-mer algorithm). This algorithm is designed for the swift calculation of the Jaccard coefficient directly from raw sequencing reads and enables the construction of phylogenetic trees based on the resultant Jaccard coefficient. Simulation results highlight the superior speed of MIKE compared to existing state-of-the-art methods. We used MIKE to reconstruct a phylogenetic tree, incorporating 238 yeast, 303&nbsp;</span><em>Zea</em><span>, 141&nbsp;</span><em>Ficus</em><span>, 67&nbsp;</span><em>Oryza</em><span>, and 43&nbsp;</span><em>Saccharum spontaneum</em><span>&nbsp;samples. MIKE demonstrated accurate performance across varying evolutionary scales, reproductive modes, and ploidy levels, proving itself as a powerful tool for phylogenetic tree construction.</span></p><p>Address of the bookmark: <a href="https://github.com/Argonum-Clever2/mike" rel="nofollow">https://github.com/Argonum-Clever2/mike</a></p>]]></description>
	<dc:creator>Abhi</dc:creator>
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  <guid isPermaLink='true'>https://bioinformaticsonline.com/opportunity/view/38302/senior-bioinformatics-scientist-at-elucidata</guid>
  <pubDate>Tue, 27 Nov 2018 04:05:57 -0600</pubDate>
  <link></link>
  <title><![CDATA[Senior Bioinformatics Scientist at Elucidata]]></title>
  <description><![CDATA[
<p>Key Responsibilities <br />- Process and analyse metabolomic, transcriptional, genomics, proteomics <br />and any other kind of biological data. <br />- Interpret the data in the context of relevant biological literature to generate <br />actionable insights. <br />- Communicate the findings from data and literature to biologists and use the <br />biological insights to derive next steps/analyses. <br />- Communicate work through blogs, meet-ups, research papers, posters, etc. <br />- Identify, troubleshoot, and implement improvements to existing pipelines <br />and algorithms. <br />- Identify and implement new tools and pipelines to use for different types of <br />biological data. <br />- Work in a multi-disciplinary team with biologists, data scientists and data <br />analysts. <br />- Help with any other requirements (from database design to generating <br />prototypes for the product team).</p>

<p>Requirements <br />- 3-5 years of relevant bioinformatics experience such as public data mining, <br />processing, analysing and visualising omics data, etc. <br />- Ph.D., Masters or Bachelors in Bioinformatics, Biotechnology, <br />Computational Biology, or related field. <br />- Understanding of molecular biology and biochemistry. <br />- Comfort and experience with biological research and data. <br />- Proficient in a programming language used for bioinformatics such as R or <br />python. <br />- Excellent communication skills. <br />- Ability to summarise and simplify complex analyses for a non-technical <br />audience. <br />- Strong analytical skills, curiosity and a knack to solve difficult problems. <br />- Work well in multi-disciplinary teams with people of vastly different <br />backgrounds. <br />- Demonstrated success in collaboration and independent work.</p>

<p>More at https://angel.co/elucidata/jobs/460104-senior-bioinformatics-scientist</p>
]]></description>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/news/view/39025/binc-exam-merged-with-dbt-bet-jrf-exam</guid>
	<pubDate>Thu, 21 Feb 2019 09:37:36 -0600</pubDate>
	<link>https://bioinformaticsonline.com/news/view/39025/binc-exam-merged-with-dbt-bet-jrf-exam</link>
	<title><![CDATA[BINC Exam merged with DBT- BET JRF Exam]]></title>
	<description><![CDATA[<p>Another breaking news received has been received from the Department of biotechnology &ndash; DBT. As per a notification released by DBT, Bioinformatics National Certification (BINC) Exam conducted once per year by DBT has been now merged with DBT- BET JRF Exam.</p><p>Also, Bioinformatics Industrial Training Program (BIITP) is merged with the HRD Biotechnology Industrial Training Programme (BITP).</p><p>While this comes as a surprise for a lot of participants. We believe this is a good attempt to unify and create a national benchmark for talent. And we appreciate this endeavor from Department of biotechnology.</p><p>However, such last-minute announcements can create confusion. Thus candidates are advised to go through the complete notification DBT-BET JRF 2019 via the link below.If you have any kind of doubts, you must contact DBT JRF or Biotecnika for any kind of help &amp; assistance.</p><p><br />Attention:-Bioinformatics Programs (BINC and BIITP)</p><p>1. Bioinformatics National Certification (BINC) has been merged with DBT-Junior<br />Research Fellow (BET Exam)</p><p>2. Bioinformatics Industrial Training Program (BIITP) is merged with HRDBiotechnology Industrial Training Programme (BITP).</p><p>Students of Bioinformatics, who are interested to apply for Fellowship or Industrial<br />Training may keep track of the advertisement of DBT-JRF (BET Exam) and BITP<br />of DBT.</p><p>&nbsp;More at&nbsp;http://www.bcil.nic.in/files/Attention_Bioinformatics_Programs_(BINC_and_BIITP).pdf</p>]]></description>
	<dc:creator>Jit</dc:creator>
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	<guid isPermaLink="true">https://bioinformaticsonline.com/bookmarks/view/40235/bioinformatics-web-development-course</guid>
	<pubDate>Wed, 06 Nov 2019 20:42:48 -0600</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/40235/bioinformatics-web-development-course</link>
	<title><![CDATA[Bioinformatics web development course]]></title>
	<description><![CDATA[<p>This web development course, targeted at Biology and Bioinformatics students, aims at teaching from scratch all the skills needed to setup a fully working Linux web server and to develop and deploy web applications for Bioinformatics.</p>
<p>No previous programming knowledge is assumed. By following this tutorial you will learn the fundamental concepts of programming by using scripting languages: variables, types, arrays, cycles, conditional statements, functions, objects, regular expressions, files reading and manipulation et-cetera.</p><p>Address of the bookmark: <a href="http://www.cellbiol.com/bioinformatics_web_development/introduction/" rel="nofollow">http://www.cellbiol.com/bioinformatics_web_development/introduction/</a></p>]]></description>
	<dc:creator>Jit</dc:creator>
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  <guid isPermaLink='true'>https://bioinformaticsonline.com/researchlabs/view/40945/the-clark-lab</guid>
  <pubDate>Fri, 07 Feb 2020 13:57:24 -0600</pubDate>
  <link></link>
  <title><![CDATA[The Clark Lab]]></title>
  <description><![CDATA[
<p>Study the process of Adaptive Evolution, during which species adopt novel traits to overcome challenges. We retrace the evolutionary histories of genomic elements to determine the changes underlying adaptation and to discover previously unknown genetic networks. These discoveries have already led to advances in human health, species conservation, and molecular biology. </p>

<p>More at http://clark.genetics.utah.edu/</p>
]]></description>
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  <guid isPermaLink='true'>https://bioinformaticsonline.com/opportunity/view/42165/bioinformatics-scientistresearch-software-engineer-at-university-of-dundee-dundee-united-kingdom</guid>
  <pubDate>Wed, 26 Aug 2020 10:31:25 -0500</pubDate>
  <link></link>
  <title><![CDATA[Bioinformatics Scientist/Research Software Engineer at University of Dundee Dundee, United Kingdom]]></title>
  <description><![CDATA[
<p>We are recruiting for an exceptional individual to join us as a computational scientist, bioinformatician, or (research) software engineer with an interest in interactive data analysis platforms for biology and medicine within our Jalview (www.jalview.org) research software engineering team.</p>

<p>More at https://www.jobs.dundee.ac.uk/fe/tpl_uod01.asp?s=4A515F4E5A565B1A&amp;jobid=104342,2382988671&amp;key=147934117&amp;c=99413415238921&amp;pagestamp=sesxbbuyifokdsfygf</p>

<p>Last date: 30th August 2020</p>

<p>Informal enquiries about this position may be made to Prof. Geoff Barton (gjbarton@dundee.ac.uk) or Dr Jim Procter (jprocter@dundee.ac.uk). To find out more about Jalview research software engineering team please visit www.jalview.org and www.compbio.dundee.ac.uk</p>
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  <guid isPermaLink='true'>https://bioinformaticsonline.com/opportunity/view/42227/two-faculty-positions-at-national-taiwan-university-taipei-taiwan</guid>
  <pubDate>Thu, 22 Oct 2020 04:53:12 -0500</pubDate>
  <link></link>
  <title><![CDATA[Two Faculty Positions at National Taiwan University, Taipei, Taiwan]]></title>
  <description><![CDATA[
<p>The Department of Agronomy at National Taiwan University, Taipei, Taiwan,<br />invites applications for two full-time faculty positions beginning August<br />1, 2021 at the rank of Assistant Professor, Associate Professor or<br />Professor in Biometry and Bioinformatics and Plant Breeding and Genetics,<br />respectively.</p>

<p>A qualified candidate should hold a Ph.D. in a relevant field including<br />Agronomy, Statistics, Bioinformatics, Plant Breeding, Plant Genetics or<br />Quantitative Genetics. For the position in Biometry and Bioinformatics, the<br />applicants capable of teaching fundamental statistics/bioinformatics<br />courses or with experience in crop science are preferable; for Plant<br />Breeding and Genetics, the applicants capable of teaching fundamental plant<br />breeding courses, with experience in crop breeding, or training in<br />quantitative genetics are preferred.</p>

<p>The application package should include two letters of reference and five<br />printed copies of the following documents (1) curriculum vitae, (2)<br />publication list, (3) undergraduate and graduate transcripts if applying<br />for the Assistant Professorship, (4) a photocopy of the Ph.D. diploma, (5)<br />teaching plan and course outline or syllabus (6) research proposal, (7) a<br />cover letter indicating the rank to apply, and one representative original<br />research article which was published by the applicant being the 1st or<br />corresponding author in an SCI peer-reviewed journal within 5 years (after<br />August 1, 2016); a copy of doctoral dissertation can be the representative<br />article if applying for the Assistant Professorship; (8) reprints of the<br />selected publications published within 7 years (after August 1, 2014).</p>

<p>The application package should mail to the Chair, Dr. Li-yu Daisy Liu<br />(lyliu@ntu.edu.tw), in the Department of Agronomy, National Taiwan<br />University, No. 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan, before<br />December 15, 2020 for full consideration.</p>
]]></description>
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