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Journée Mobyle 28 septembre 2012 A brief introduction to MobyleNet

MobyleNet - Mobyle Workshop - September 28, 2012

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Page 1: MobyleNet  - Mobyle Workshop - September 28, 2012

Journée Mobyle 28 septembre 2012

A brief introduction to MobyleNet

Page 2: MobyleNet  - Mobyle Workshop - September 28, 2012

Journée Mobyle 28 septembre 2012

Goals:

Federate communities by establishing cross site dialog

Not limited to exchange of expertise about software implementation

Instead, take advantage of complementary skills and go for trusted interoperability, avoiding local implementation of all software

“Each site has its own expertise, and the skills to maintain,update, evolve the corresponding tools”, for the benefit of all.

Page 3: MobyleNet  - Mobyle Workshop - September 28, 2012

Seamless integration of remote services

Journée Mobyle 28 septembre 2012

Page 4: MobyleNet  - Mobyle Workshop - September 28, 2012

Chaîning cross platform services

Journée Mobyle 28 septembre 2012

Page 5: MobyleNet  - Mobyle Workshop - September 28, 2012

Integrated pipeline skills ... not limited to local services

Remote services are seen “as local”

Journée Mobyle 28 septembre 2012

Page 6: MobyleNet  - Mobyle Workshop - September 28, 2012

Integrated pipeline skills ... up to workflows

Journée Mobyle 28 septembre 2012

Page 7: MobyleNet  - Mobyle Workshop - September 28, 2012

Remote services are executed remotely ...

Journée Mobyle 28 septembre 2012

Data is stored on remote server (input, output)

Mobyle has internal mechanisms to retrieve remote data

Cross site data persistence policy to be acknowledged

Page 8: MobyleNet  - Mobyle Workshop - September 28, 2012

“Configuring” MobyleNet

Exporting services:

Journée Mobyle 28 septembre 2012

Config.py:

EXPORTED_SERVICES = [ 'muscle', 'FAF-Drugs2', 'Frog2', 'T-Coffee', 'stride', 'HCA', 'plotSC',

'Yakusa' ]

Page 9: MobyleNet  - Mobyle Workshop - September 28, 2012

“Configuring” MobyleNet

Importing services:

Journée Mobyle 28 septembre 2012

Config.py:

PORTALS={ 'ipmc': { 'url': 'http://mobyle.ipmc.cnrs.fr/cgi-bin/', 'help' : '[email protected]', 'repository': 'http://mobyle.ipmc.cnrs.fr/', 'services': { 'programs' :['XLogP', 'PLANTS', 'LEA3D'] } } }

Page 10: MobyleNet  - Mobyle Workshop - September 28, 2012

“Configuring” MobyleNet

Importing services: effective deployment

Journée Mobyle 28 septembre 2012

Mobdeploy -s ipmc -V deploy -j -p LEA3D

Page 11: MobyleNet  - Mobyle Workshop - September 28, 2012

“Configuring” MobyleNet

Importing services: overloading remote menu configuration

Journée Mobyle 28 septembre 2012

Categories.xml:

<categories> <category name="sompak" class="program">Drugs:SOM:creation</category> <category name="molconvert" class="program">Drugs:Tools</category> <category name="cons" class="program">Sequence:Alignment:consensus</category> <category name="SeqLogo" class="program">Sequence:Analysis</category> <category name="iANTPatScan" class="program">Sequence:Analysis</category> <category name="iANTMultalinNucleic" class="program">Sequence:Comparison</category> <category name="iANTMultalinProteic" class="program">Sequence:Comparison</category> <category name="InterproAnnotation" class="program">Sequence:Annotation</category> <category name="HeliageneGetSequence" class="program">Sequence:Retrieval</category> <category name="Atome2" class="program">Structure:Prediction:3D_structure</category></categories>

Page 12: MobyleNet  - Mobyle Workshop - September 28, 2012

“Configuring” MobyleNet

Importing services: troubles

Journée Mobyle 28 septembre 2012

- incompatible Mobyle versions across sites

- incompatible datatypes

- data persistence (bookmark!)

Page 13: MobyleNet  - Mobyle Workshop - September 28, 2012

Cross site service compatibility

Data typing is central for service compatibility. Type is composed of:

BioType (ADN, Protein, etc) DataType

− SuperClass− Class

DataFormat

Page 14: MobyleNet  - Mobyle Workshop - September 28, 2012

Protein (Biotype) AbstractText (SuperClass) _3DStructure (Class) PDB (DataFormat)

Example

<type> <biotype>Protein</biotype> <datatype> <class>_3DStructure</class> <superclass>AbstractText</superclass> </datatype> <dataFormat>PDB</dataFormat> </type>

Page 15: MobyleNet  - Mobyle Workshop - September 28, 2012

Compatibility rules for chaining

Output biotype compatible with input biotype DataType: “specific to general” rule

E.g.: Nucleic Sequence Alignment → Sequence Alignment

DataFormat: identicals or require format converter

Page 16: MobyleNet  - Mobyle Workshop - September 28, 2012

Assisting type compatibility checkMobylenet.rpbs.univ-paris-diderot.fr

Page 17: MobyleNet  - Mobyle Workshop - September 28, 2012

Assisting type compatibility checkMobylenet.rpbs.univ-paris-diderot.fr

Page 18: MobyleNet  - Mobyle Workshop - September 28, 2012

MobyleNet today

Page 19: MobyleNet  - Mobyle Workshop - September 28, 2012

MobyleNet today

New sites scheduled before end 2012:

GDR Chemoinformatique

Marseille (X. Morelli)Reims (JM Nuzillard)Strasbourg (D. Rognan)...