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	<title><![CDATA[BOL: Related items]]></title>
	<link>https://bioinformaticsonline.com/related/26380?offset=300</link>
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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/42359/dnasp-dna-sequence-polymorphism-is-a-software-package-for-the-analysis-of-dna-polymorphisms</guid>
	<pubDate>Wed, 25 Nov 2020 19:51:38 -0600</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/42359/dnasp-dna-sequence-polymorphism-is-a-software-package-for-the-analysis-of-dna-polymorphisms</link>
	<title><![CDATA[DnaSP: DNA Sequence Polymorphism, is a software package for the analysis of DNA polymorphisms]]></title>
	<description><![CDATA[<p><span>DnaSP, DNA Sequence Polymorphism, is a software package for the analysis of DNA polymorphisms using data from a single locus (a multiple sequence aligned -MSA data), or from several loci (a Multiple-MSA data, such as formats generated by some assembler RAD-seq software). DnaSP can estimate several measures of DNA sequence variation within and between populations in noncoding, synonymous or nonsynonymous sites, or in various sorts of codon positions), as well as linkage disequilibrium, recombination, gene flow and gene conversion parameters.</span></p><p>Address of the bookmark: <a href="http://www.ub.edu/dnasp/" rel="nofollow">http://www.ub.edu/dnasp/</a></p>]]></description>
	<dc:creator>Neel</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/43766/genometools-the-versatile-open-source-genome-analysis-software</guid>
	<pubDate>Wed, 02 Feb 2022 04:00:21 -0600</pubDate>
	<link>https://bioinformaticsonline.com/bookmarks/view/43766/genometools-the-versatile-open-source-genome-analysis-software</link>
	<title><![CDATA[GenomeTools: The versatile open source genome analysis software]]></title>
	<description><![CDATA[<p>The&nbsp;<em>GenomeTools</em>&nbsp;genome analysis system is a&nbsp;<a href="http://genometools.org/license.html">free</a>&nbsp;collection of bioinformatics&nbsp;<a href="http://genometools.org/tools.html">tools</a>&nbsp;(in the realm of genome informatics) combined into a single binary named&nbsp;<em>gt</em>. It is based on a C library named &ldquo;libgenometools&rdquo; which consists of several modules.</p>
<p><img src="http://genometools.org/images/annotation.png" alt="image" style="border: 0px;"></p>
<p>If you are interested in gene prediction, have a look at&nbsp;<a href="http://genomethreader.org/" title="GenomeThreader gene prediction        software"><em>GenomeThreader</em></a>.</p>
<p>http://genometools.org/pub/</p><p>Address of the bookmark: <a href="http://genometools.org/" rel="nofollow">http://genometools.org/</a></p>]]></description>
	<dc:creator>Neel</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/blog/view/44257/calculate-the-significance-of-the-difference-between-two-trends</guid>
	<pubDate>Tue, 14 Mar 2023 05:41:53 -0500</pubDate>
	<link>https://bioinformaticsonline.com/blog/view/44257/calculate-the-significance-of-the-difference-between-two-trends</link>
	<title><![CDATA[Calculate the significance of the difference between two trends]]></title>
	<description><![CDATA[<div><div><div><div><div><div><div><div><div><div><p>To calculate the significance of the difference between two trends, you can use a statistical test such as a t-test or ANOVA (analysis of variance). Here are the general steps to follow:</p><ol>
<li>
<p>Define your null hypothesis (H0) and alternative hypothesis (H1). For example, H0 might be that there is no significant difference between the two trends, while H1 might be that there is a significant difference.</p>
</li>
<li>
<p>Collect data on the two trends. Make sure that the data is independent, normally distributed, and has equal variances.</p>
</li>
<li>
<p>Calculate the means and standard deviations of each trend.</p>
</li>
<li>
<p>Calculate the test statistic using a t-test or ANOVA. The test statistic will depend on the specific test you choose, but it will generally compare the difference in means between the two trends to the variability within each trend.</p>
</li>
<li>
<p>Determine the p-value associated with the test statistic. The p-value represents the probability of obtaining a test statistic as extreme as the one you calculated, assuming that the null hypothesis is true.</p>
</li>
<li>
<p>Compare the p-value to your chosen significance level (usually 0.05 or 0.01). If the p-value is less than or equal to the significance level, reject the null hypothesis and conclude that there is a significant difference between the two trends. If the p-value is greater than the significance level, fail to reject the null hypothesis and conclude that there is not enough evidence to support a significant difference.</p>
</li>
</ol><p>It's important to note that the specific details of each step will depend on the type of test you choose and the software you use to perform the analysis.</p><p>The most common methods for comparing means include:</p><table>
<thead>
<tr><th>Methods</th><th>R function</th><th>Description</th></tr>
</thead>
<tbody>
<tr>
<td>T-test</td>
<td>t.test()</td>
<td>Compare two groups (parametric)</td>
</tr>
<tr>
<td>Wilcoxon test</td>
<td>wilcox.test()</td>
<td>Compare two groups (non-parametric)</td>
</tr>
<tr>
<td>ANOVA</td>
<td>aov() or anova()</td>
<td>Compare multiple groups (parametric)</td>
</tr>
<tr>
<td>Kruskal-Wallis</td>
<td>kruskal.test()</td>
<td>Compare multiple groups (non-parametric)<br /><br /></td>
</tr>
</tbody>
</table></div></div></div></div></div></div></div></div></div></div>]]></description>
	<dc:creator>BioStar</dc:creator>
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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>
]]></description>
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