Hi.
I recently downloaded and installed MODELLER 6v2 onto a Macintosh PowerBook G4 under OS X and Darwin. The installation was successful and running the tutorial from the manual (section 1.8.2) produced a result.
I am now having a look at the examples provided by the manuscripts on the User Manual page of the Modeller web-site. At this point, I must point out that I have been unable to download the example files - I keep getting a connection failure error.
I have started by going through the TvLDH (Trichomonas vaginalis lactate dehydrogenase) example. I created the file 'TvLDH.ali' as shown in the manuscipt, and created the seq_search.top file aslo as detailed :
SET SEARCH_RANDOMIZATIONS = 100 SEQUENCE_SEARCH FILE = 'TvLDH.ali', ALIGN_CODES = 'TvLDH', DATA_FILE = ON
I run this by 'mod seq_search.top'. However, the program appears just to sit there not doing much - 30 to 40 minutes so far, before I have to quit by Ctrl-C. A .log file is produced, but only contains the introductory title and execution start time. is this normal behaviour. Changing the SEARCH_RANDOMIZATIONS to 20 appears to have no effect.
As a supplementary question, does anyone know where I could download the PDB (or even the ExPDB) database - sequences only, in a FASTA or BLAST format ?
Cheers,
Alex Brown.
> As a supplementary question, does anyone know where I could download the > PDB (or even the ExPDB) database - sequences only, in a FASTA or BLAST > format ?
ftp://ftp.rcsb.org/pub/pdb/derived_data/
-- Roberto Sanchez, Assistant Professor Structural Biology Program, Department of Physiology & Biophysics and Institute for Computational Biomedicine, Mount Sinai School of Medicine Box 1677, 1425 Madison Avenue, New York, NY 10029 phone +1 (212) 659 8648, fax +1 (212) 849 2456 http://physbio.mssm.edu/~sanchez/
Roberto Sanchez wrote:
>>As a supplementary question, does anyone know where I could download the >>PDB (or even the ExPDB) database - sequences only, in a FASTA or BLAST >>format ? >> > >ftp://ftp.rcsb.org/pub/pdb/derived_data/ > There is also 'pdbaa':
ftp://ftp.ncbi.nih.gov/pub/blast/db/pdbaa.Z
and ASTRAL (derived from SCOP which in turn is derived from the PDB):
There are a number of very complex issues regarding the mappings between FASTA sequence files of the PDB and the actual structural data. The ASTRAL pages and literature address these issues. Caveat biologist.
participants (3)
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Alex Brown
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David E. Konerding
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Roberto Sanchez