On 26 March 2011 07:47, Ashish Runthala ashishr@bits-pilani.ac.in wrote:
> Dear Thomas, > You mentioned the free tools in details. I appreciate that. But what i > don't understand is to manually call everyone, and then keep on doing it, is > tedious but fun it is. >
So if I get it right this time, you didn't ask what commercial free tools are available to display your sequence alignment along with the secondary structure, is that correct? Could you please be more careful with your syntax cause it's kind of difficult to follow you.
> I had a query that template secondary structure information is there in > templates, but with indels, that may be disturbed. I mean the native > information is deteriorated. > > So if based on indels, available in current alignment, if i can link > directly to a python script. So that my next programme to generate the > optimal alignment will become successful, as i did all of these several > times manually, to design the algorithm to generate best representative > alignment. > > So you want to write a python script that can cope with indels inside SSEs. Namely, given a structure-based alignment between your target and templates, you want to select which of the following alignments is the optimum:
target > HCSIHHSC Template1> HCSIHISC Template2> HCSHHISC ------------------------------------------------------- target > HCS-IHHSC Template1> HCS-IHISC Template2> HCSH-HISC ------------------------------------------------------- target > HCSI-HHSC Template1> HCS-IHISC Template2> HCS-HHISC
etc.
Is this what you seek?
> Will you please elaborate this time. > > Thanks, > Ashish > > > Ashish Runthala, > Lecturer, Structural Biology Cell, > Biological Sciences Group, > BITS, Pilani > Rajasthan, INDIA > > ----- Original Message ----- > From: "Thomas Evangelidis" tevang3@gmail.com > To: "Ashish Runthala" ashishr@bits-pilani.ac.in > Cc: "modeller" modeller_usage@salilab.org > Sent: Friday, March 25, 2011 4:50:42 PM GMT +05:30 Chennai, Kolkata, > Mumbai, New Delhi > Subject: Re: [modeller_usage] How to get Secondary Structure in Alignment > file > > Maestro from Schrodinger can display both the predicted secondary structure > elements (SSE) of the target and the SSE of the templates above the > alignment dynamically (namely if you change the alignment the SSEs are > changed accordingly). > > Alternatively you can use the following commercial free tools: > > ESPript ( http://espript.ibcp.fr/ESPript/ESPript/ ): can create an image > of your alignment with the SSEs of your templates above it. No SSE of the > target is displayed though. > > MolIDE ( http://dunbrack.fccc.edu/molide/index.php ): I have the notion > that this alignment editor (and not only) can display both the predicted SSE > of the target and the SSE of the templates. However, I didn't manage to run > it yet due to compilation problems. I intend to give it a try in the near > future. > > STRAP ( http://3d-alignment.eu/ ): it can do both but the GUI is not handy > in Linux (windows and fonts are unequal, etc.). > > Finally you can add a row with the secondary structure (as you wrote it in > your email) above each sequence in your alignment editor. I prefer Jalview > and like to play around with groups and colors. See the attached image for > an example. SSE of your templates can be retrieved from PDB (e.g. > http://www.pdb.org/pdb/explore/sequenceText.do?structureId=2IXF&chainId=...) whereas the SSE of your target can be predicted by Jpred3 ( > http://www.compbio.dundee.ac.uk/www-jpred/ ). > > > HTH, > > Thomas > > > > > On 25 March 2011 05:47, Ashish Runthala < ashishr@bits-pilani.ac.in > > wrote: > > > Dear Modellers, > Suppose i have two templates, and a target sequence. Instead of sequence > alignment based file, i want to consider the secondary structure > information, like given below > > Template1> HCSIHISC > Template2> HCSHHISC > > H=Helix, C=Coil, S-Strand, I=Indels > > Is it possible to get the alignment in this case for multiple templates > against the target sequence( whose structure can also be represented as best > aligned folds) > > Thanks > Ashish > > Ashish Runthala, > Lecturer, Structural Biology Cell, > Biological Sciences Group, > BITS, Pilani > Rajasthan, INDIA > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > https://salilab.org/mailman/listinfo/modeller_usage > > > > -- > > > ====================================================================== > > Thomas Evangelidis > > PhD student > > Biomedical Research Foundation, Academy of Athens > > 4 Soranou Ephessiou , 115 27 Athens, Greece > > email: tevang@bioacademy.gr > > tevang3@gmail.com > > > website: https://sites.google.com/site/thomasevangelidishomepage/ > > > >