choose your weapon

March 4, 2009 by Steve · Leave a Comment 

Faced with the task of creating a PhD dissertation over the next 3 years I briefly investigated alternatives to the standard Microsoft Office suite.  I had played with Lyx last year but I quickly found myself outgrowing the WYSIWYG interface as I learned to code.  I also required a reference manager as my literature review was comprising over 200 references and the easiest way to get these software packages to interact was to dump the crutches.

I have tried to stay away from Microsoft Office this time as I have spent many years wrestling with auto correct, auto formatting, and frustrating middle of the night sessions watching figures jump around pages and printed documents looking nothing like what is on the screen, not to mention the random events that will occur when I send it to another machine.  I have also moved over to Ubuntu 8.10 as my primary operating system and adopted open office.  Still, the prospect of writing a thousand page document in MS or open office didn’t feel practical.  I stuck with open office initially and needed to investigate a reference manager that would play with it.  The Universities recommendation was Endnote but this was out on my Linux box so I began with bibus as it can store your references in an sql database and I had visions of being able to keep my library on a web server.  Unfortunately I ran into problems when exporting the database – it wouldn’t, and it didn’t play very nicely with open office, requiring time to install pipelines to pass data between the two applications, and generally being unpleasant if I wanted to rapidly throw in reference on the fly.  Bibus also had problems finding references in pubmed and often couldn’t find them even with PUID numbers.  As with bibus, Endnote also appeared to require a break in the writing flow to input a reference.

I cut my losses with office suites and took the plunge into LaTeX proper with Tex Maker and kbib.  Kbib so far hasn’t failed to find a reference search I’ve thrown at it, and imports citations from the web and exports my library into various RIS, xml, and endnote formats ensuring some future compatibility/portability.  Tex Maker isn’t the best LaTeX editor and is still digital blasphemy for hardcore vim or Emacs users, but I like the help it gives me with the code and syntax.  Kile is better with in-line spell check, but texmaker gives me a native gnome application and I can do bulk spell checks periodically.  The code was a hurdle at first, but after a few pages I had grasped a set of basic formatting codes and LaTeX was allowing me to just write and not think about headings and margins, and where the heck figure 9 just went.  I also seemed to grasp the equation editor relatively quickly and found it fairly straight forward to use.  It isn’t as simple as the MS and open office equation editors, but allowed me much greater control.  The real power of LaTex for me has been the labelling and tagging capability.  I can just tell LaTex what’s a figure, equation, diagram, etc and carry on writing.  References are much the same, just inputting the library identifier and carry on with the text.  The compiler will then number and reference them automatically, which is an enormous time saver and doesn’t break the flow of writing.  Inserting a new figure in the middle of a 300 page document at 3am the night before submission is a horror I have experienced plenty of times before in Office, and manually curating a bibliography is impossible this time.  LaTeX isn’t all loved up for the user though.  Document compiling can be a daunting experience when a random $ sign can give you a completely incomprehensible error message at 2am requiring an hour of debugging.  This is where MS Office scores a few dozen points back.  LaTex GUI’s could definitely improve the bug hunting for “noobies”.  After 3 months though I am fairly happy now creating all of my documents in LaTeX and would recommend anybody creating anything greater than an essay to use it, as you can quite literally just write and let the compiler worry about everything else.  Happy days.

For our impending conference visit I attempted to create a scientific poster in LaTex.  Error.  I gave this a good go… honest.  However I found my LaTex Jedi skills to be somewhat under developed and there just wasn’t enough control over the layout without a serious time investment in learning some more advanced code to complete the task.  The University recommended MS PowerPoint, however an A0 document with images in Powerpoint is a nightmare without a quad core processor and as much ram as you can stuff inside the case.  Open Office also requires an enormous amount of time to load and save this kind of document, especially converting between MS office formats.  This time I turned to Scribus, an open source desktop publishing package that was designed by a LaTeX user also struggling to create scientific posters and struggling with the lack of available software. I hadn’t really used Scribus before but found it very easy to input text boxes and images, with fine control of positioning using a WYSIWYG interface.  Scribus also exports as PDF so you can export your documents and send them to the printers moderately confident of what will come back.  Scribus is also infinitely more sophisticated than powerpoint with support for scalable vector graphics and templates for almost any kind of document.  Happy days again.

My next challenges are finding some alternative graphing software to escape Excel and some training in Matlab.

blog rebooted

March 3, 2009 by Steve · Leave a Comment 

I have reactived my blog to keep an account of my work in systems biology, inspired by Professor Douglas Kell’s blog at the BBSRC.  I am also due to attend the FEBS systems biology conference in Austria next week and would like to record the event.

I will see where it goes…

LaTeX

June 11, 2008 by Steve · Leave a Comment 

I have been thinking for a while about the best tools to use when writing scientific reports throughout my PhD.  Systems Biology combines mathematical modelling with wet lab experimentation.  For me, writing equations alongside experimental data is a new experience and I was unsure how to insert this kind of information into an electronic document.  There is always Microsoft equation editor, but this didn’t seem to produce the same quality of script as seen in scientific publications. I have recently favored the open source applicaton MathCast for creating equations as it outputs both as images and mathml which makes it quite versatile. I had been aware of LaTex for a few years but had many problems compiling something usable in Windows and had been too lazy to bother learning the LaTex coding to perform tasks that Office could do with a mouse click. I found it difficult to break into the LaTex scene and had rebounded back to Office and my toolbox of open source applications.  Recently I have migrated over to Ubuntu and ventured into LaTex again using the synaptic package manager to compile the myriad dependencies for LaTex.  This went ok and I got myself a working LaTex environment, however I still couldn’t be bothered to “code” my documents when I could just churn out an office document.

Today I stumbled on Lyx, a WYSIWYM LaTex editor.  WYSIWYM is “what you see if what you mean” and utilizes a word processor style interface to plug into MikTex.  For new people, idiots, and combinations of the 2 like myself, this enables the user to construct a LaTex document using a minimal understanding of  the markup language but without losing any of the capabilities of LaTex.

A comprehensive review can be found here.  I have to get my head around structuring a LaTex document, however Lyx provides the “leg up” to begin escaping the comfort blanket of Microsoft Office.

Ubuntu 8.04

May 11, 2008 by Steve · Leave a Comment 

cup of UbuntuNo updates in a while due to work commitments.  Just a quick post before bed to comment on the latest release of Ubuntu Linux.  I have been tinkering with Ubuntu for a couple of years after brief forays into Mandrake, Peanut, and SUSE.  I have had a few problems with driver and general compatibility issues between Linux and the rest of the world using MS Windows and stuck to XP.  I tried out Ubuntu as it was the first distribution that moved away from supplying the user with 6 CDs containing a myriad of applications all doing the same thing, installing from a single 700mb CD with everything you needed.  My course here at Manchester provided an Acer Travelmate 4230 laptop which we have been using for general report writing and more recently mathematical modelling with Mathematica and Copasi.  I had a play with various versions of Ubuntu 6 and 7 but could never get it to recognise all the integrated hardware and ended up back with XP again.

Earlier this month I downloaded the latest Ubuntu 8.04 and gave their new Wubuntu windows installer a go as I could have a quick play and delete it without having to re-partition my hard disk.  Ubuntu installed alongside XP with a smooth bootloader and ISO image instead of dual boot.  I was stunned to find the operating system happily detecting all the integrated intel hardware on the laptop, the widescreen resolution, and even the integrated 3D graphics accelerator to provide the full bells and whistles Compiz Fusion desktop.  A week later and I haven’t booted back into XP!  The OS migrated all my user accounts automatically from XP and mapped the old partition as a drive within Ubuntu. I downloaded a couple of extra packages like Amorak and Thunderbird and I’m seriously considering waving goodbye to Microsoft for my future work.  The speed gained from the Linux filesystem is considerable and the integrated synaptics package manager makes downloading additional software and updates simple.

I feel version 8.04 is a significant step forward for the Ubuntu community and a serious contended as a mainstream desktop operating system. I would seriously recommend anybody who is considering an expensive upgrade to Vista or Apple give it a try before shelling out.

The revolution is here ;)

Genomes to Systems 2008 – day 3

March 22, 2008 by Steve · 1 Comment 

Today’s seminars began with a plenary lecture from James Ferrell of Stanford University on systems-level properties of the mitotic oscillator. The morning continued with systems biology in time: dynamic cellular processes, chemical genomics: small molecules with large effects, and pharmacogenomics. I chose to attend the systems biology in time lectures.

The lectures began with Mike White of Liverpool University on temporal and spatial information encoding by the NF-kB system and continued with Olivier Pourquié (Kansas City) on periodic patterns in embryonic development: the vertibrate segmentation clock. Following this lecture we had Andrew Millar of Edinburgh on unwinding the biological clock, and finally Béla Novák of Oxford on the systems biology of the cell cycle. Béla Novák’s lecture was of particular interest and delivered with great enthusiasm. It was clear that we must dispense with reductionist approaches if we are to understand the true essence of biological systems. It is the understanding of the interplay between the various components that defines the behaviour of the system, and not the individual key components. The reductionist approach to the components is still crucial to understanding the working of the component parts, but cannot be used to describe the emergent properties of cellular processes when working as part of their overall function in the cells life cycle.

The afternoon continued with seminars on systems biology from microbe to planet: understanding lots of data through comprehensive models, advanced concepts and techniques in array informatics, and clinical genomics of cancer.

I chose to attend the systems biology modelling lectures and we had Masaru Tomita (Keio) on multi-omics analysis and integrative systems biology, Steve Oliver (Cambridge) on yeast systems biology, and Matthias Reuss from Stuttgart on unravelling regulatory networks in hepatocytes on the basis of time-series data.

The afternoon finished with David Richardson of Norwich who presented an interesting talk on the global nitrogen cycle, detailing the effect of nitrogen fixing bacteria on the environment and how it fits into the current issues around the environment, particularly its under-reported importance next to the levels of carbon in the environment.

The conference was concluded by an excellent lecture from Hans Westerhoff of Manchester/Amsterdam entitled “from genomes to systems… dealing with the networks”. Professor Westerhoff presented some interesting theories on the future of systems biology, together with some new mathematics on fragility that went with his theories on control coefficients and robustness.

I found the conference very interesting, and it was a great opportunity to be immersed in the community of systems biology. It was inspiring to see so many people working in the field without the usual question of “what the heck is systems biology?”… although I don’t think anybody had a clear definition of what the heck it is anyway!

Genomes to Systems Conference 17th – 19th March 2008

March 18, 2008 by Steve · 2 Comments 

genomes2systemsbanner

This week I have been attending the Genomes to Systems Conference at the Manchester GMEX centre. The week has provided an outstanding series of lecturers from eminent scientists in the field of systems biology.

Monday began with an opening by Professor Hans Westerhoff, (pictured below) and followed with Nobel prize winner Robert Huber with Proteases and their regulation, from structures to mechanisms and application.

genomes2systems-westerhoff

The opening day progressed with lectures on disease proteomics, metabolic markers of disease, and deep mining of genomes and was finished up with an outstanding lecture from John Mattick from Brisbane entitled “The eukaryotic genome as an RNA machine”.

The second day began with an opening lecture by Luis Serrano from Barcelona entitled “Evolvability and hierarchy in rewired bacterial gen networks”. The morning was then lectures on systems biology computational environments, single molecule imaging for analysis of biological processes, and “from structure to biology”. I personally attended the systems biology computational environments lectures after attending a number of proteomics lectures yesterday. I find the computational biology sections of systems biology most interesting after our first few months of taught courses. I attended some excellent lectures from Mike Hucka (Caltech) on SBML: present status and ongoing efforts for extensions, Nicolas Le Novére (EBI) on principled annotation or quantitative methods in systems biology, Ursula Kummer (Heidelberg) on COPASI, and finally an excellent lecture from Hiroaki Kitano (SBI, Tokyo) on SBGN: the systems biology graphical notation. We finished the morning with a technology showcase from Thermo Fisher Scientific and Roche diagnostics, who demonstrated the Genome Sequencer FLX system. Lunch included an EBI workshop on Ensembl and ArrayExpress.

For the afternoon, we had talks on emerging strategies for global proteomics, metagenomics approaches to biodeiversity and systems ecology, and facts from the flood: text mining for biomedicine. I attended the proteomics seminars as I have been finding this field interesting of late, and I feel it is of increasing importance in the post human genome project world as we can now link our genome data with the next level of expression – the proteins. I think that disease biomarkers will be crucially important in future disease diagnosis, and in delivering an application for the vast array of data from genome sequencing studies. Scientists have discovered the code, and now we need to understand the program. Anne Dell ( ICL) presented on high throughput glycomics and glycoproteomics, followed by Rob Beynon (Liverpool) on quantitative proteomics, and Simon Hubard (Manchester) on improved informatics for proteomics.

I particularly enjoyed the talks from Anne Dell discussing glycomics, as I had not heard about this field before, and it could be very useful in discovering and assaying biomarkers for cancer. I will be reading some more information on this subject in the future. The talk from Rob Beynon and Simon Hubard were also fascinating new incites in quantitative technique for the previously qualitative field of proteomics.

The day concluded with a plenary lecture from Ron Breaker (Yale) on gene control by metabolite-sensing riboswitches, and later an informal talk was given by Larry DeLucas on Space travel & genomics in space” !!

I am looking forward to tomorrow seminars on dynamic cellular processes, chemical genomics, and pharmacogenomics.

Rotation project 1

March 3, 2008 by Steve · Leave a Comment 

Over the past 2 weeks our class has been undertaking training in the genetic engineering of yeast and E. coli cells with flourescent protein, which we have subsequently expressed and purified using chromatography, gel electrophoresis, and blotting techniques. We successfully cloned and purified green and red fluorescent proteins.

Next week we begin the first of our 12 week rotation projects. My project will involve the purification, kinetic assaying, and parameter fitting of a subgroup of enzymes that are involved in a so-far uncharted part of the yeast metabolic pathway. We will present a poster of our project to our colleagues in the systems biology program at Warwick University.

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