ALLVERSUSALL documentation


 


CONTENTS

1.0 SUMMARY
2.0 INPUTS & OUTPUTS
3.0 INPUT FILE FORMAT
4.0 OUTPUT FILE FORMAT
5.0 DATA FILES
6.0 USAGE
7.0 KNOWN BUGS & WARNINGS
8.0 NOTES
9.0 DESCRIPTION
10.0 ALGORITHM
11.0 RELATED APPLICATIONS
12.0 DIAGNOSTIC ERROR MESSAGES
13.0 AUTHORS
14.0 REFERENCES



1.0 SUMMARY

Sequence similarity data from all-versus-all comparison


2.0 INPUTS & OUTPUTS

ALLVERSUSALL reads a directory of files each containing a set of 2 or more sequences, performs an all-versus-all global alignment on each set and writes a file of sequence similarity values for each input file. The output files have the same base name as the input files. The path and extension of the input and output files are specified by the user in the ACD file.


3.0 INPUT FILE FORMAT

All common sequence format are supported.


4.0 OUTPUT FILE FORMAT

The output file contains 7 columns as follows:

Output files for usage example

File: swtiny1.out

1 Q9WVI4 : 2 Q9ERL9 : 90.48
1 Q9WVI4 : 3 Q9DGG6 : 55.70
1 Q9WVI4 : 4 Q99396 : 54.74
1 Q9WVI4 : 5 Q99280 : 57.66
2 Q9ERL9 : 3 Q9DGG6 : 58.28
2 Q9ERL9 : 4 Q99396 : 56.39
2 Q9ERL9 : 5 Q99280 : 62.31
3 Q9DGG6 : 4 Q99396 : 52.26
3 Q9DGG6 : 5 Q99280 : 53.99
4 Q99396 : 5 Q99280 : 83.41

File: swtiny2.out

1 O58452 : 2 O30129 : 82.42
1 O58452 : 3 O26938 : 75.56
2 O30129 : 3 O26938 : 71.43

File: allversusall.log

//
/ebi/services/idata/pmr/hgmp/test/data/structure/allversusall/swtiny1.fasta
//
/ebi/services/idata/pmr/hgmp/test/data/structure/allversusall/swtiny2.fasta




5.0 DATA FILES

ALLVERSUSALL uses a residue substitution matrix.


6.0 USAGE

6.1 COMMAND LINE ARGUMENTS

   Standard (Mandatory) qualifiers:
  [-seqinpath]         dirlist    This option specifies the location of
                                  sequence files (input)
  [-datoutdir]         outdir     This option specifies the location of
                                  sequence similarity data files (output).
   -logfile            outfile    This option specifies the name of
                                  ALLVERSUSALL log file (output). The log file
                                  contains messages about any errors arising
                                  while ALLVERSUSALL ran.

   Additional (Optional) qualifiers:
   -matrix             matrixf    This option specifies the residue
                                  substitution matrix that is used for
                                  sequence comparison.
   -gapopen            float      This option specifies the gap insertion
                                  penalty. The gap insertion penalty is the
                                  score taken away when a gap is created. The
                                  best value depends on the choice of
                                  comparison matrix. The default value assumes
                                  you are using the EBLOSUM62 matrix for
                                  protein sequences, and the EDNAFULL matrix
                                  for nucleotide sequences.
   -gapextend          float      This option specifies the gap extension
                                  penalty. The gap extension, penalty is added
                                  to the standard gap penalty for each base
                                  or residue in the gap. This is how long gaps
                                  are penalized. Usually you will expect a
                                  few long gaps rather than many short gaps,
                                  so the gap extension penalty should be lower
                                  than the gap penalty. An exception is where
                                  one or both sequences are single reads with
                                  possible sequencing errors in which case
                                  you would expect many single base gaps. You
                                  can get this result by setting the gap open
                                  penalty to zero (or very low) and using the
                                  gap extension penalty to control gap
                                  scoring.

   Advanced (Unprompted) qualifiers: (none)
   Associated qualifiers:

   "-logfile" associated qualifiers
   -odirectory         string     Output directory

   General qualifiers:
   -auto               boolean    Turn off prompts
   -stdout             boolean    Write standard output
   -filter             boolean    Read standard input, write standard output
   -options            boolean    Prompt for standard and additional values
   -debug              boolean    Write debug output to program.dbg
   -verbose            boolean    Report some/full command line options
   -help               boolean    Report command line options. More
                                  information on associated and general
                                  qualifiers can be found with -help -verbose
   -warning            boolean    Report warnings
   -error              boolean    Report errors
   -fatal              boolean    Report fatal errors
   -die                boolean    Report deaths


Standard (Mandatory) qualifiers Allowed values Default
[-seqinpath]
(Parameter 1)
This option specifies the location of sequence files (input) Directory with files ./
[-datoutdir]
(Parameter 2)
This option specifies the location of sequence similarity data files (output). Output directory ./
-logfile This option specifies the name of ALLVERSUSALL log file (output). The log file contains messages about any errors arising while ALLVERSUSALL ran. Output file allversusall.log
Additional (Optional) qualifiers Allowed values Default
-matrix This option specifies the residue substitution matrix that is used for sequence comparison. Comparison matrix file in EMBOSS data path EBLOSUM62
-gapopen This option specifies the gap insertion penalty. The gap insertion penalty is the score taken away when a gap is created. The best value depends on the choice of comparison matrix. The default value assumes you are using the EBLOSUM62 matrix for protein sequences, and the EDNAFULL matrix for nucleotide sequences. Floating point number from 1.0 to 100.0 10.0 for any sequence
-gapextend This option specifies the gap extension penalty. The gap extension, penalty is added to the standard gap penalty for each base or residue in the gap. This is how long gaps are penalized. Usually you will expect a few long gaps rather than many short gaps, so the gap extension penalty should be lower than the gap penalty. An exception is where one or both sequences are single reads with possible sequencing errors in which case you would expect many single base gaps. You can get this result by setting the gap open penalty to zero (or very low) and using the gap extension penalty to control gap scoring. Floating point number from 0.0 to 10.0 0.5 for any sequence
Advanced (Unprompted) qualifiers Allowed values Default
(none)

6.2 EXAMPLE SESSION

An example of interactive use of ALLVERSUSALL is shown below. Here is a sample session with allversusall


% allversusall 
Sequence similarity data from all-versus-all comparison.
Location of sequence files (input [./]: allversusall/
Location of sequence similarity data files (output) [./]: 
Name allversusall log file (output) [allversusall.log]: 

Processing /ebi/services/idata/pmr/hgmp/test/data/structure/allversusall/swtiny1.fasta
Processing /ebi/services/idata/pmr/hgmp/test/data/structure/allversusall/swtiny2.fasta

Go to the output files for this example




7.0 KNOWN BUGS & WARNINGS

None.


8.0 NOTES

8.1 GLOSSARY OF FILE TYPES

FILE TYPE FORMAT DESCRIPTION CREATED BY SEE ALSO
Domain hits file DHF format (FASTA-like). Database hits (sequences) with domain classification information. The hits are relatives to a SCOP or CATH family (or other node in the structural hierarchies) and are found from a search of a discriminating element (e.g. a protein signature, hidden Markov model, simple frequency matrix, Gribskov profile or Hennikoff profile) against a sequence database. SEQSEARCH (hits retrieved by PSIBLAST). SIGSCAN (hits retrieved by sparse protein signature). LIBSCAN (hits retrieved by various types of HMM and profile). N.A.



9.0 DESCRIPTION

All-versus-all sequence comparisons are commonly required. ALLVERSUSALL performs a full global pair-wise alignment for every permutation of pair of sequence in each input set of sequences. It writes a file of sequence similarity values for each input set of sequences.


10.0 ALGORITHM

Standard N&W type alignment.


11.0 RELATED APPLICATIONS

See also

Program nameDescription
aaindexextractExtract data from AAINDEX
cathparseGenerates DCF file from raw CATH files
cutgextractExtract data from CUTG
domainerGenerates domain CCF files from protein CCF files
domainnrRemoves redundant domains from a DCF file
domainseqsAdds sequence records to a DCF file
domainsseAdd secondary structure records to a DCF file
hetparseConverts heterogen group dictionary to EMBL-like format
pdbparseParses PDB files and writes protein CCF files
pdbplusAdd accessibility & secondary structure to a CCF file
pdbtospConvert swissprot:PDB codes file to EMBL-like format
printsextractExtract data from PRINTS
prosextractBuild the PROSITE motif database for use by patmatmotifs
rebaseextractExtract data from REBASE
scopparseGenerate DCF file from raw SCOP files
seqnrRemoves redundancy from DHF files
sitesGenerate residue-ligand CON files from CCF files
ssematchSearch a DCF file for secondary structure matches
tfextractExtract data from TRANSFAC



12.0 DIAGNOSTIC ERROR MESSAGES

None.


13.0 AUTHORS

Jon Ison (jison@rfcgr.mrc.ac.uk)
MRC Rosalind Franklin Centre for Genomics Research Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SB, UK


14.0 REFERENCES

Please cite the authors and EMBOSS. Please cite the authors and EMBOSS.

Rice P, Longden I and Bleasby A (2000) "EMBOSS - The European Molecular Biology Open Software Suite" Trends in Genetics, 15:276-278.

See also http://emboss.sourceforge.net/

14.1 Other useful references