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PIMS SRS > Use Case Suite > Bioinformatics Use Cases

Release Information

Project: PIMS
Internal Release Number: 0.1
Related Documents:

Default Aspects of All Use Cases

Direct Actors:
User: end-user in any role
System: The PIMS system being built
Admin: Web-site administrator, has authority to perform security-critical operations.
Scientist: Post-graduate or post-doctoral wet lab scientist
Senior Scientist: Post-doctoral scientist
Group leader: someone with authority to add users to a group, usually a senior scientist.
Technician: Technical staff
Experimenter: Scientist, or technician sometimes PI
PI: head of lab
When actors are not listed, assume User is doing it.
Items beginning with "see" indicate that System has presented a new screen.
Stakeholders: Project Owners and other members
Prereq: User is logged in except for UC-Log in
TIP: See detailed tips in the guidelines for writing use cases.

Use cases


Target management
UC-Add new target
UC-Edit target
UC-View target status
UC-Add details of a citation to a target
UC-Find citations relating to a target

Bioinformatics
UC-Target selection
UC-BLAST sequence
UC-Genomic DNA available
UC-cDNA available
UC-Is target registered
UC-Align sequences
UC-Predict TM helices
UC-Design primers
UC-Order primers

Sample Tracking
UC-Create sample
UC-Edit sample
UC-Track sample
UC-Sample discard
UC-Move sample
UC-Generate barcode
UC-Scan barcode
UC-View current experiment outputs
UC-View location

Reagent management
UC-Add reagent
UC-Edit reagent
UC-New container
UC-View reagents

Experiment/Protocol management
UC-Create protocol
UC-Edit protocol
UC-View protocol
UC-New experiment
UC-Update experiment
UC-Add next experiment
UC-Remove experiment
UC-Create screening solutions
UC-New crystalization plate
UC-View experiment
UC-New multi-well experiment
UC-Screen conditions

Project management
UC-Create project
UC-Add target to project
UC-Add user to project

Logging in and out
UC-Log in
UC-Log out

User account management
UC-Reg new user
UC-New passwd
UC-Edit profile
UC-View profile

Data Access Rights management
UC-new-owner
UC-new-group
UC-add-user
UC-remove-user
UC-add-permission
UC-remove-permission
UC-add-create
UC-remove-create
UC-new-condition
UC-set-condition

Reporting
UC-Print protocol
UC-Print experiment
UC-Audit trail

Interfacing to laboratory instruments
UC-Robot-input
UC-Robot-input-series
UC-Robot-control
UC-Robot-generate
UC-Robot-convert

Data mining and visualisation
UC-Search PIMS

Installation and upgrading
UC-Config site
UC-Submit form

Mobile data collection


Workflow tools


Scheduling

UC-Target selection: Select suitable targets

Summary: The process of selecting targets for protein production and crystalization, requires that the scientist screens potential target sequences against various criteria which may influence expression.
The criteria will vary, depending on the overall aims of the research project, but may include:
- the presence/absence of certain sequence motifs such as recognition sites for glycosylation and cleavage by proteases
- the presence of homologous structures already determined
Remote sites for this purpose include the OPPF's OPAL -Oxford Protein Analyser Linker Tool (to be implemented in PIMS), and the YSBL's Target Selection Resource
Importance: Desired
Priority: Desired
Use Frequency: Sometimes
Direct Actors: Experimenter
Main Success Scenario:
  1. visit the relevant target selection page
  2. enter or select appropriate details and click to submit
  3. view results of "target selection"
Variations
  1. "positive" selection criteria for membrane protein targets includes the presence of transmembrane motifs TMs.
    There is also a requirement to include the Saier classification system.
Notes and Questions
  • OPPF bioinformatics toolkit to be implemented in PIMS
  • for other remote sites, will need links
  • will the user store the results? If so how?

UC-BLAST sequence: Perform BLAST search for a sequence

Summary: An experimenter will often wish to perform BLAST (Basic Local Alignment Search Tool: Altschul et.al.1990) searches of a protein (or DNA) sequence for similarity in a (usually) remote sequence database.
This is typically performed during the target selection process, for example to determine if homologues to a proposed target exist.
BLAST searches are also performed periodically, following target selection, to search for recently sequenced homologues and solved structures.
See the NCBI BLAST service web page for possible programs
or the EBI's Similarity Searching and Homology TOOLS selection page
See also Jamie Prilusky's SeqAlert service which compares a sequence(s) against PDB and TargetDB.
Importance: Expected
Priority: Desired
Use Frequency: Often
Direct Actors: Experimenter
Main Success Scenario:
  1. visit the remote BLAST server page and select program
  2. enter details and select appropriate search parameters
  3. click to submit
  4. view results
Alternative 1a
Scenario Extensions:
    Set up query using web services. For details see WSWUBLAST at the EBI, or the NCBI Web service interface see QBlAst's URL API User Guide for details
    1. TODO
Variations
  1. available programs include the NCBI's "bl2seq" to align 2 sequences.
  2. selectable search parameters include the database e.g. swissprot, PBD, refseq etc.
Notes and Questions
  • Will need links to remote BLAST servers
  • BLAST searches may take minutes -hours to run, depending on the server
  • How will the user store the results? -can usually be retrieved as HTML, text or XML
  • Can a BLAST search be set up to run automatically at a user-defined time with e.mail (or other) notification.
    For example, the MSDtargets Alert service for SPINE researchers

UC-Design primers: Design PCR primers

Summary: An experimenter will frequently need to design primers for PCR and sequencing experiments. A number of remote websites and commercial software aplications exist for this purpose.
Different laboratories will have preferences.
For example Invitrogen Vector-NTI softwareis used by some MPSI labs.
The Whitehead Institute's Primer3 is a widely used web based service which could be integrated.
Importance: Expected
Priority: Desired
Use Frequency: Often
Direct Actors: Experimenter
Main Success Scenario:
  1. visit remote primer design web page
  2. enter or select required parameters
  3. see primer results page
Alternative 1a
Scenario Extensions:
    Primers have been designed using commercial software and results saved to file stored locally
    1. TODO
Notes and Questions
  • will need links and /or integration tools to extract information for PIMS
  • need copies of required input details and output format

UC-Order primers: Order primers from supplier

Summary: After designing PCR primers, an experimenter may wish to have them synthesized. This may be an "in house" or a commercial service.
On-line primer ordering services are available e.g. MWG Biotech provides downloadable order form templates.
The details can then be entered into PIMS
Importance: Desired
Priority: Desired
Use Frequency: Sometimes
Direct Actors: Experimenter
Main Success Scenario:
  1. visit remote primer ordering web page
  2. click to select service
  3. enter or select required parameters
  4. submit order
  5. perform UC-Add reagent: Add a new reagent to PIMS steps 1-10
Alternative 1a
Scenario Extensions:
    Template order form exists in PIMS,
    1. visit "REAGENTS" page
    2. click to display primer order form
    3. see template order form
    4. enter or select required parameters
    5. perform Submit form: Submit information in a form steps 1-3
    6. system sends form to supplier as e.mail
    7. system records primer information as "new reagent(s)"
Notes and Questions
  • will need links to external sites
  • need link to UC-Add Reagent
  • facility to add and retrieve template order forms
  • integration tools to generate new reagent from order-form fields

UC-Genomic DNA available: Check genomic DNA availability

Summary: When selecting targets, experimenters may need to check the availability of genomic DNA from the species of interest.
ATCC_LGC provides a searchable distribution service.
Importance: Desired
Priority: Expected
Use Frequency: Rarely
Direct Actors: Experimenter
Main Success Scenario:
  1. visit ATTC_LGC home page
  2. select relevant search criteria
  3. view results
Notes and Questions
  • will need links to external site

UC-cDNA available: Check cDNA availability

Summary: When selecting eukaryotic targets, experimenters may need to check the availability of cDNAs encoding full-length proteins of interest.
For mammalian proteins (human, rat and mouse) the Mammalian Gene Collection MGC provides a searchable list of full-length clones.
These are available through the IMAGE (Integrated Molecular Analysis of Genomes and their Expression) Consortium clone distribution network, along with a list of authorized distibutors in Europe and the USA.
Human and mouse clones also available from the Invitrogen Ultimate ORF collection.
Arabidopsis cDNAs can be obtained from the European Arabidopsis Centre NASC
Also see LocusLink for curated sequence and descriptive information about genetic loci from a number additional eukaryotes
Importance: Desired
Priority: Expected
Use Frequency: Rarely
Direct Actors: Experimenter
Main Success Scenario:
  1. visit appropriate remote search page
  2. select relevant search criteria
  3. view results
Notes and Questions
  • will need links to external sites
  • need to investigate generation of URLs to search from PIMS
    e.g. LocusLink can be queried with URLs constructed as follows: "http://www.ncbi.nlm.nih.gov/LocusLink/QUERY" -see Locus Link Help for details

UC-Is target registered: Check if target is registered in Targetdb

Summary: To avoid duplication of effort, an experimenter will need to determine if a potential target has been registered in the TargetDB database.
This provides a registration and tracking information for a large number of structural genomics and proteomics projects worldwide including SPINE and OPPF.
This may be included in UC-Target selection: Select suitable targets
Importance: Desired
Priority: Desired
Use Frequency: Sometimes
Direct Actors: Experimenter
Main Success Scenario:
  1. visit TargetDB home page
  2. complete and submit target search form
  3. view results page
Notes and Questions
  • will need links to external site
  • target registration is voluntary and so results may be incomplete

UC-Align sequences: Perform sequence alignment

Summary: An experimente may wish to align a number of protein (or nucleotide) sequences. This can be to find regions of similar sequence which define a conserved domain or pattern, or to derive possible evolutionary relationships among the sequences.
This may be included in UC-Target selection: Select suitable targets, and is often performed on the results from a BLAST search. UC-BLAST sequence:
Can be performed using locally installed software, or at remote servers e.g. the EBI's ClustalW sequence analysis tool, which has an option to retrieve the results by e.mail
Importance: Desired
Priority: Desired
Use Frequency: Sometimes
Direct Actors: Experimenter
Main Success Scenario:
  1. visit EBI's ClustalW Submission web form
  2. select alignment parameters or use default values
  3. select output optons
  4. select phylogentic tree type
  5. enter sequences
  6. click to submit
  7. view results page
Alternative 1a
Scenario Extensions:
    Use local version
    1. TODO
Alternative 2a
Scenario Extensions:
    Get results by e.mail
    1. enter e.mail address
    2. perform UC-Align sequences: Perform sequence alignment steps 2-7
Notes and Questions
  • will need links to external site, see online help
  • can the results including phylogenetic trees be stored with links to target?

UC-Predict TM helices: Predict TM helices in a protein

Summary: When selecting targets, experimenters may need to determine the number and location of transmembrane (TM) helices
A service is provided at a number of remote sites which use HMMs (Hidden Markov Model) algorithms. For example, run TMHMM at the CBS site in Denmark.
TM prediction can also be performed on multiple sequences. For example HMMTOP is performed following a ClustalW alignment.
TM predictions may be part of the target selection process UC-Target selection: Select suitable targets
Importance: Desired
Priority: Desired
Use Frequency: Sometimes
Prereq:
User must belong to a user group with appropriate access rights
Main Success Scenario:
  1. visit the TMHMM server page
  2. paste or upload sequence (in FASTA format)
  3. select output format options
  4. click to submit
  5. view results
Alternative 5a
Scenario Extensions:
    get results by e.mail
    1. enter e.mail address and click to proceed
Notes and Questions
  • need links to remote sites
  • can target sequences be retrieved from PIMS in FASTA format for input into remote programs?
  • can the predicted topology be retrieved from the results and stored in PIMS?
    See user guide for output options at the CBS site
  • can this be set up to run automatically?

UC-name: USE CASE NAME

Summary: 1-3 SENTENCES
Importance: Essential | Expected | Desired | Optional
Priority: Essential | Expected | Desired | Optional
Use Frequency: Always | Often | Sometimes | Rarely | Once
Direct Actors: ACTOR1, ACTOR2, ACTOR3
Prereq:
PRECONDITION
Main Success Scenario:
  1. STEP
  2. STEP
  3. STEP
Alternative "index"
Scenario Extensions:
    BRANCH CONDITION
    1. ALTERNATIVE STEP
    2. ALTERNATIVE STEP
    3. ALTERNATIVE STEP
Variations
TODO: Check for words of wisdom and discuss ways to improve this template.
Company Proprietary
Copyright © 2003-2004 Jason Robbins. All rights reserved. License terms. Retain this copyright statement whenever this file is used as a template.