Transcript Goals Structural Biology Collaboratory Allow a team of researchers

Structural Biology Collaboratory
Goals
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Allow a team of researchers distributed anywhere in the world to perform a complete
crystallographic experiment together.
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Enhance productivity by allowing remote collaborators to participate in experimental choices
at the beam line.
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Facilitate collaborative experiments in such areas as drug design and structural genomics.
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Fully utilize National resources for crystallographic experiments.
Structural Biology Collaboratory
24/7 access to
data and computing
Remote access to
experimental facilities
Data Collection
Data Reduction
and Structure Analysis
Crystal Mounting
Robot
Synchrotron
Research Resource
WWW Diffraction
Image Viewer
File Server and
Compute Server
Beamline Video System
• 6 live feeds per SMB-Crystallography
beamline
• Currently available on 3 beamlines to
increase to 6 over the coming 3
months
• Critical machine surveillance for
remote monitoring
• Network limitations only allow lowquality feeds at present. Bottlenecks
at SLAC and user’s institutions.
Benefits
• Users can monitor sample
and beam line remotely
• Staff can troubleshoot
and diagnose problems
• Images served to automated
sample alignment software
General features
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A web-base GUI
Secure access
Restricted access
Preset positions
Synchrotronization of clients
Camera enable/disable
Image control
Snapshot
Beamline Video System applications
Live Live video feeds to BLU-ICE/DCS
• Full remote control of the experiment
• Interactive crystal alignment
• Automated loop alignment
• Beam line alignment
• Beam line diagnostics and user-support
• Robot monitoring and sample tracking
Archive System
• Need driven:
 Two new CCD detectors operational, which generate
74MB images with a readout of 1 second.
 Current 24/7 average duty cycle is 1% limited by manual
sample mounting and low intensity of x-ray beam
 Increase of duty cycle to 20% through Structural
Genomics initiative to automate sample handling and
Spear3 upgrade to provide 20x increase in beam
intensity by 2004
 Increase to at least 6 similar systems
• Objectives:
 Large-volume long term data storage system.
 A centralized data storage system to allow users to
share data easilywith their collaborators.
 Support for the large area and fast readout detectors.
 Meta-data catalog to allow searching of specific data
sets.
 Higher security and reliability than digital tapes.
• Current Status:
 A command-line based “Uploader” has been developed
and used by SMB staff rountinely.
 srbBrowser provided by SDSC is currently used for
downloading data from SRB.
 E-mail summaries to help book keeping.
 System requirements were gathered from users and
SMB staff.
Archive System Architecture
Unix “Uploader”
RAID System
Blu-Ice
Archive System
Server
WWW-GUI
Archive System
Database
SSRL or elsewhere
BLU-ICE
SRB
(Storage Res ourc e
Broker)
• Automated backup during
data collection
HPSS
(High Performance
Storage System)
WWW-GUI
• Browse data at both SSRL
and SDSC computers.
• Upload and download data.
• Set access permission.
• Define, monitor and prioritize
multiple arhicve jobs.
• Searchable meta-data
• E-mail summaries to help
book-keeping
High-throughput Structural Biology
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Next generation scientific
challenges
 Structural genomics and
proteomics in the post
genome sequencing era
 High-throughput structural
biology for drug discovery
Global efforts
 Life sciences is moving
towards global
collaborations in bigscience efforts
 Immense data generation
and data mining at
unprecedented rates
• A decade ago, interfaces were VT100-style
• Modern interfaces are highly graphical and
intuitive but are typically instrument driven
• Next generation interfaces are data driven
Automation Instrumentation
Data Driven Interfaces