Re: [PyMOL] some help

2010-05-26 Thread Jed Goldstone
A multiple sequence viewer incorporating structural information would be 
incredibly helpful, as then I wouldn't have to generate models for 
everything I want to compare substitutions in.

It might be too much to ask of PyMOL to be good at everything, however. 
Perhaps adding the ability to read in alignments from an external 
program (e.g. in aligned fasta format) containing the sequence of the 
structure (or model) to be aligned to would be sufficient?

Jed


Thomas Juettemann wrote:
 Hi Ashok,

 there are several ways to visualise alignments. Here is a nice overview:

 Visualization of multiple alignments, phylogenies and gene family evolution
 James B Procter, Julie Thompson, Ivica Letunic, Chris Creevey, Fabrice
 Jossinet  Geoffrey J Barton
 Nature Methods 7, S16 - S25 (2010)
 http://dx.doi.org/doi:10.1038/nmeth.1434

 To address your question, it is not possible to my knowledge to upload
 a sequence only to PyMOL. Keep in mind that PyMOL is a molecular
 viewer, not a sequence viewer.  If you want to see your sequence, you
 probably would have to create a 3D model of your sequence (e.g. using
 MODELLER).

 However, I think you have an interesting idea. It would be handy to
 sometimes see a given sequence aligned to the structure I am looking
 at.

 Question to Jason (and the community for feedback):
 Would it be possible to write a module that takes one or more
 sequences, aligns  them to a given structure (or set) that is opened
 in PyMOL and shows the aligned sequences in the sequence viewer? This
 feature would be very handy for me when evaluating alignments before I
 run MODELLER.

 Cheers,
 Thomas

 On Tue, May 25, 2010 at 23:13, Ashok Adhikari
 ashok.adhik...@student.unsw.edu.au wrote:
   
 hi,

 do u know how to upload a sequence which is not in PDB. we dnt know the name
 of the sequence and we have only 250 residues we can align with the
 other file. we did that and we can upload those sequences from PDB but now
 we need to upload the original sequence.

 thanks...in advance.

 ashok
 from UNSW

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Jed Goldstone
Research Specialist
Woods Hole Oceanographic Institution
Redfield 3-52 MS#32
Woods Hole, MA 02543
http://www.whoi.edu/hpb/Site.do?id=481
Phone: 508-289-4823


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Re: [PyMOL] some help

2010-05-26 Thread Jason Vertrees
Hi Thomas,

 To address your question, it is not possible to my knowledge to upload
 a sequence only to PyMOL. Keep in mind that PyMOL is a molecular
 viewer, not a sequence viewer.  If you want to see your sequence, you
 probably would have to create a 3D model of your sequence (e.g. using
 MODELLER).

You can load FASTA files into PyMOL.  Good luck understanding the
results though.  For example:

# fetch a protein and save its sequence
fetch 1cll, async=0
save 1cll.fasta, 1cll

# delete everything  load the FASTA file
dele *
load 1cll.fasta

Cheers,

-- Jason

-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120

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