porting hmmer and interproscan to the grid daniel alberto burbano sefair ( ) michael angel pérez...

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PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ([email protected] ) Michael Angel Pérez Cabarcas ([email protected]) University of The Andes Information Technology Division Colombia November 2008

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INTRODUCTION Our users, from Biologic department, want to use HMMER and InterProScan by an easy way saving processing time. –Graphic User Interface instead of command line interface. –They are few users that submit many jobs ( ). –Submit jobs with files upper than 10 MB. –Reduce the processing time using other computers. –Depend of the job, the time could be 1 h to 12 h. –Some jobs from InterProScan fail, and must be submited again.

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Page 1: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

PORTING HMMER AND INTERPROSCANTO THE GRID

Daniel Alberto Burbano Sefair ([email protected]) Michael Angel Pérez Cabarcas ([email protected])

University of The AndesInformation Technology Division

ColombiaNovember 2008

Page 2: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

Topics

• Introduction• HMMER• InterProScan• What do we have?• What do we want with your help?• Questions

Page 3: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

INTRODUCTION

• Our users, from Biologic department, want to use HMMER and InterProScan by an easy way saving processing time.

– Graphic User Interface instead of command line interface.– They are few users that submit many jobs (1000 - 3000).– Submit jobs with files upper than 10 MB.– Reduce the processing time using other computers.– Depend of the job, the time could be 1 h to 12 h.– Some jobs from InterProScan fail, and must be submited again.

Page 4: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

1. What is HMMER?- “HMMER is a sequence analysis tool using profile Hidden Markov Models”.- It is a set of 9 applications used by command line:

hmmpfam, hmmsearch, hmmalign, hmmbuild, hmmconvert, hmmcalibrate, hmmemit,

hmmindex, hmmfetch.

The above definition is taked from: ftp://selab.janelia.org/pub/software/hmmer/CURRENT/Userguide.pdf

Home page: http://hmmer.janelia.org/

HMMERProfile Hidden Markov Models

Page 5: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

2. How can I use HMMER by command, PBS, and JDL?HMMER is a command line application, this is an example

hmmsearch file.hmm MySequence.fasta >> output

HMMER

Page 6: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

1. What is InterProScan?

The following definition is taked from Europan Bioinformatic Institute: http://www.ebi.ac.uk/2can/tutorials/function/InterProScan.html

“InterProscan is a tool that combines different protein recognition methods into one resource. It scans a given protein sequence against the protein signatures of the InterPro member databases (PROSITE, PRINTS, Pfam, ProDom, SMART, TIGRFAMMs.”

Home Page: http://www.ebi.ac.uk/Tools/InterProScan/

InterProScan

Page 7: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

2. How does InterProScan work?

1. The User submit a protein sequence.

2. Protein sequence applications are launched and search against specific databases.

3. Each application returns a list of hits.

4. The results are combined.5. The information returned to

the user

1

2 3

4

InterProScan

Infomration and Sshema are taken from: http://www.ebi.ac.uk/2can/tutorials/images/scan_schema.gif

Page 8: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

3. How can I use InterProScan by command, PBS, and JDL?

InterProScan is a command line application, this is an example

iprscan -cli –I input.seq -o test.out -format raw -goterms -iprlookup

InterProScan

Page 9: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

What do we have?

• Bioinformatic Grid Wrapper (BGW) for HMMER and InterProScan that is a Command Line Interface (CLI)

Page 10: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

What do we want with your help?

Architecture

Page 11: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

Thanks

?

Page 12: PORTING HMMER AND INTERPROSCAN TO THE GRID Daniel Alberto Burbano Sefair ( ) Michael Angel Pérez Cabarcas

• “Profile hidden Markov models (profile HMMs) can be used to do sensitive database searching using statistical descriptions of a sequence family's consensus. HMMER is a freely distributable implementation of profile HMM software for protein sequence analysis.”