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(ATS3-APP04) AVS and SN 6.6
    Update 3 Deep Dive
                             Mike Wilson
                Advisory Product Manager
                mike.wilson@accelrys.com
The information on the roadmap and future software development efforts are
intended to outline general product direction and should not be relied on in making
a purchasing decision.
Agenda

• Review Recent Symyx Notebook Releases
• Notebook Table Conditional Formatting
• Vault Index Monitoring
Recent Releases
• Symyx Notebook 6.6 SP2 (September 2011)
   – Cross experiment analysis
   – Experiment editor improvements
   – Requires AVS 6.6 SP2

• Symyx Notebook 6.6 Update 3 (February 2012)
   –   New synthetic chemistry features
   –   Table section improvements
   –   Works with SN 6.6 SP1 or SP2
   –   Requires AVS 6.6 SP3
Notebook 6.6 SP2

 Client Application Release   • Cross-experiment Analysis and Reporting
                                 • Hosted within NBE
                                 • Reports developed/extensible using PLP
           Cross Experiment        Reporting Collection Components
                              • Usability Enhancements
               Analysis          • Experiment viewing in tabbed layout
                                 • Work Request node in NBE Browse pane
                                 • Recipe execution usability
                                 • Ability to set a Form section as the preview
              Usability            section
            Enhancements         • Quick File tool panel for quick access to
                                   desktop folder locations

                              Notebook 6.6 SP2
                              Sept 2011
Tile Experiments for Viewing
Access your Analysis and Reports
         New Analysis Pane in
          Notebook Explorer     Enter Parameters for
                                       Report           Graphical and
                                                       Tabular Results



  Browse for Desired
       Report
Immediate Access to your Data Files




 Assign Quick File to
 Local and Network
       Folders




                           Drag into File Sections
Notebook 6.6 Section Update 3

 Section Update Release         • Synthetic Chemistry
                                   • Multiple material lots
             Synthetic             • Material Import enhancements
            Chemistry              • SDK access to SN6 libraries
                                • Customer Enhancements
                                   • Table section row re-ordering
                                   • mol/mol units
              Customer             • Table section usability
                                      o Conditional row/column highlighting
            Enhancements              o Ability to pin columns for scrolling
                                      o Column header wrapping/grouping
                                Notebook 6.6 Update 3
                                Feb 24, 2012
New Capability Highlights
• Process Chemistry                                                     Functionality
   –   Multi-lot materials                                              Usability
   –   Add the mol/mol (LR) unit for use by synthetic chemists
   –   Import/Search of Materials
   –   SN6 Structure /Reaction searching for Process Notebook parallel experiments
   –   Improve usability of Material Import and Auto-lookup dialogs
   –   Remove duplicates from ChemSeek search results
• Table Section Behaviors
   –   Table section conditional formatting
   –   Row reordering in Table-based sections
   –   Improved table section column resizing, wrapping and header behaviors
   –   Improved table section copy/paste behaviors; Easier keyboard navigation
Table Formatting for Usability



                                 Template section property and ‘rules
                                 editor’ enable conditional formatting
                                 on a ‘per Table section’ basis – rules
                                     saved with section template


                                  Modify font, font color, background
                                   color to columns, rows, or cells



                                 Set precedence of conflicting rules by
                                             reordering
Index Status Tracking for AVS 6.6
Design Goals

•   Provide visibility into the indexing state of a deployment
•   Support automation of system management
•   Address deficiencies in existing Vault Indexing Utility
•   Enable system management reporting of indexing state
Index Status Tracking Implementation

• A new status tracking table in each repository schema
• Updated message handlers and processing service that
  reports results to the tracking table
• New re-queuing utility that integrates with status
  tracking data
• Extensive documentation including best practice
  guidance
Message Handler Status Table

• New table in each repository schema
• Tracking records are added as VOs are saved
      – No records will exist in this table upon install/upgrade

 Column Name             Data Type      Description
 VaultId                 VarChar(255)   The VaultId of the item being tracked
 HandlerName             VarChar(255)   The message handler being tracked
 Action                  VarChar(255)   Internal field used by message handlers
 Status                  VarChar(255)   Queued, Processed, Failed, or Requeued
 LastModifiedTime        TimeStamp      The last time the VO was modified
 LastProcessedVersion    Integer        The version number of the last version that was successfully
                                        processed
 LastProcessedTime       TimeStamp      The last time the VO was successfully processed
Message Handler States

State                  Meaning
Queued                 VO is currently queued for processing by the message handler
Processed              VO was processed by the message handler
Failed                 VO could not be processed by the message handler
Requeued               VO is currently queued for processing
Ignore                 VO should be ignored for status tracking
Unknown                VO has not been processed by the index status tracking feature

Notes:
• Unknown is an implied state used to describe VOs without records in the status
   tracking table
• “Processed” does not imply the presence of data in an index
         – The object might not implement that type of indexing
         – The object might not contain any data of that type
Message Handlers

Message Handler                                    Description
FullTextIndexer                                    Adds any text provided by VO to the full text index

VaultObjectIndexMessageHandler                     Indexes any Property Set Definition (PSD) data (including
                                                   structures and reactions)
PropertyIndexMessageHandler                       Indexes VaultObject core properties to support Standard Search
                                                  and internal querying
WorkflowActivator                                 Enrolls items in workflows based on the active workflow
                                                  associations
WorkflowTransitionMessageHandler                  Indexes workflow stage value after transitions
IndexerObjectHandler                               Indexes form data for Advanced Search (superseded by PSD
                                                   indexing in Vault 6.4)

•   Systems may have additional message handlers
      –   Work Request 2.0
      –   Custom handlers developed by Accelrys Services
•   Message handlers must be based on AVS 6.6 SP1 (or later) to participate in status tracking
Re-Queuing Utility
• Submits VaultObjects for processing based on their message handling
  status
   – Replaces VaultIndexingUtility.exe
   – Utilizes the data in MessageHandlerStatus
   – Designed for automation

• Can be used to process items:
   –   That failed to process previously
   –   When message queues are purged
   –   For a specific message handler
   –   To establish their message handling state
   –   When a new indexing feature is added (ex: Office 2010 documents after the
       upgrade to Oracle 11g)
RequeueVaultObjects.exe Arguments

 Examples:
 • Re-queue failed VOs in the Site repository
               RequeueVaultObjects -repository Site
 • Re-queue queued VOs for full text indexing in the R&D repository
               RequeueVaultObjects -repository "R&D" –status Queued
                 –queues FullTextIndexer
 • Re-queue untracked VOs Process Chemistry repository
               RequeueVaultObjects -repository "Process Chemistry"
                 –status Unknown

 Argument              Description                                  Required   Default
 -Repository           The repository that will be acted upon         Yes       N/A
 -MessageLimit         Maximum # of messages that will be created     No       100000
 -Status               The message handling state to be queued        No       Failed
 -Queues               List of queues to populate                     No         All
RequeueVaultObjects.exe Arguments

    Argument                  Description                                  Required   Default
    -Repository               The repository that will be acted upon         Yes       N/A
    -MessageLimit             Maximum # of messages that will be created     No       100000
    -Status                   The message handling state to be queued        No       Failed
    -Queues                   List of queues to populate                     No         All


Examples:

•      Re-queue failed VOs in the Site repository
                  RequeueVaultObjects -repository Site
•      Re-queue queued VOs for full text indexing in the R&D repository
                  RequeueVaultObjects -repository "R&D"
                    –status Queued –queues FullTextIndexer
•      Re-queue untracked VOs Process Chemistry repository
                  RequeueVaultObjects -repository "Process Chemistry"
                    –status Unknown
Example Queries

• Find items queued for more than a day



• Show the indexing status

• Items that failed to index in the past day
Automation Support

• Status tracking + re-queuing enables automation of
  message handling management activities
   – Task Scheduler jobs
      • Re-process all failed items at midnight each day
      • Process all unknown items on Saturday each week
   – Large jobs can be split across servers
      • Ex: queue 25,000 on server 1 then queue the next 25,000 on server 2
Summary
•   Symyx Notebook is rapidly evolving to better serve our customers. Features such as
    tabbed editors and conditional table formatting make the product more usable and index
    status tracking makes the server easier to manage.

•   Other Notebook sessions that may interest you
     –   (ATS3-APP08) Building Symyx Notebook dashboards with Pipeline Pilot
     –   (ATS3-APP09) Integrating Symyx Notebook into an Enterprise Management System
     –   (ATS3-APP13) Tips and Tricks for Monitoring and Managing Symyx Notebook Server Performance
     –   (ATS3-APP14) Troubleshooting Symyx Notebook client performance

•   Resources
     – Notebook IT/Admin forum on the Accelrys Community
           •   Email support@accelrys.com to join
     – Troubleshooting guidance: support@accelrys.com
The information on the roadmap and future software development efforts are
intended to outline general product direction and should not be relied on in making
a purchasing decision.


For more information on the Accelrys Tech Summits and other IT & Developer
information, please visit:
https://community.accelrys.com/groups/it-dev

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(ATS3-APP04) AVS and SN 6.6 Updates 3 Deep Dive

  • 1. (ATS3-APP04) AVS and SN 6.6 Update 3 Deep Dive Mike Wilson Advisory Product Manager mike.wilson@accelrys.com
  • 2. The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision.
  • 3. Agenda • Review Recent Symyx Notebook Releases • Notebook Table Conditional Formatting • Vault Index Monitoring
  • 4. Recent Releases • Symyx Notebook 6.6 SP2 (September 2011) – Cross experiment analysis – Experiment editor improvements – Requires AVS 6.6 SP2 • Symyx Notebook 6.6 Update 3 (February 2012) – New synthetic chemistry features – Table section improvements – Works with SN 6.6 SP1 or SP2 – Requires AVS 6.6 SP3
  • 5. Notebook 6.6 SP2 Client Application Release • Cross-experiment Analysis and Reporting • Hosted within NBE • Reports developed/extensible using PLP Cross Experiment Reporting Collection Components • Usability Enhancements Analysis • Experiment viewing in tabbed layout • Work Request node in NBE Browse pane • Recipe execution usability • Ability to set a Form section as the preview Usability section Enhancements • Quick File tool panel for quick access to desktop folder locations Notebook 6.6 SP2 Sept 2011
  • 7. Access your Analysis and Reports New Analysis Pane in Notebook Explorer Enter Parameters for Report Graphical and Tabular Results Browse for Desired Report
  • 8. Immediate Access to your Data Files Assign Quick File to Local and Network Folders Drag into File Sections
  • 9. Notebook 6.6 Section Update 3 Section Update Release • Synthetic Chemistry • Multiple material lots Synthetic • Material Import enhancements Chemistry • SDK access to SN6 libraries • Customer Enhancements • Table section row re-ordering • mol/mol units Customer • Table section usability o Conditional row/column highlighting Enhancements o Ability to pin columns for scrolling o Column header wrapping/grouping Notebook 6.6 Update 3 Feb 24, 2012
  • 10. New Capability Highlights • Process Chemistry  Functionality – Multi-lot materials  Usability – Add the mol/mol (LR) unit for use by synthetic chemists – Import/Search of Materials – SN6 Structure /Reaction searching for Process Notebook parallel experiments – Improve usability of Material Import and Auto-lookup dialogs – Remove duplicates from ChemSeek search results • Table Section Behaviors – Table section conditional formatting – Row reordering in Table-based sections – Improved table section column resizing, wrapping and header behaviors – Improved table section copy/paste behaviors; Easier keyboard navigation
  • 11. Table Formatting for Usability Template section property and ‘rules editor’ enable conditional formatting on a ‘per Table section’ basis – rules saved with section template Modify font, font color, background color to columns, rows, or cells Set precedence of conflicting rules by reordering
  • 12. Index Status Tracking for AVS 6.6
  • 13. Design Goals • Provide visibility into the indexing state of a deployment • Support automation of system management • Address deficiencies in existing Vault Indexing Utility • Enable system management reporting of indexing state
  • 14. Index Status Tracking Implementation • A new status tracking table in each repository schema • Updated message handlers and processing service that reports results to the tracking table • New re-queuing utility that integrates with status tracking data • Extensive documentation including best practice guidance
  • 15. Message Handler Status Table • New table in each repository schema • Tracking records are added as VOs are saved – No records will exist in this table upon install/upgrade Column Name Data Type Description VaultId VarChar(255) The VaultId of the item being tracked HandlerName VarChar(255) The message handler being tracked Action VarChar(255) Internal field used by message handlers Status VarChar(255) Queued, Processed, Failed, or Requeued LastModifiedTime TimeStamp The last time the VO was modified LastProcessedVersion Integer The version number of the last version that was successfully processed LastProcessedTime TimeStamp The last time the VO was successfully processed
  • 16. Message Handler States State Meaning Queued VO is currently queued for processing by the message handler Processed VO was processed by the message handler Failed VO could not be processed by the message handler Requeued VO is currently queued for processing Ignore VO should be ignored for status tracking Unknown VO has not been processed by the index status tracking feature Notes: • Unknown is an implied state used to describe VOs without records in the status tracking table • “Processed” does not imply the presence of data in an index – The object might not implement that type of indexing – The object might not contain any data of that type
  • 17. Message Handlers Message Handler Description FullTextIndexer Adds any text provided by VO to the full text index VaultObjectIndexMessageHandler Indexes any Property Set Definition (PSD) data (including structures and reactions) PropertyIndexMessageHandler Indexes VaultObject core properties to support Standard Search and internal querying WorkflowActivator Enrolls items in workflows based on the active workflow associations WorkflowTransitionMessageHandler Indexes workflow stage value after transitions IndexerObjectHandler Indexes form data for Advanced Search (superseded by PSD indexing in Vault 6.4) • Systems may have additional message handlers – Work Request 2.0 – Custom handlers developed by Accelrys Services • Message handlers must be based on AVS 6.6 SP1 (or later) to participate in status tracking
  • 18. Re-Queuing Utility • Submits VaultObjects for processing based on their message handling status – Replaces VaultIndexingUtility.exe – Utilizes the data in MessageHandlerStatus – Designed for automation • Can be used to process items: – That failed to process previously – When message queues are purged – For a specific message handler – To establish their message handling state – When a new indexing feature is added (ex: Office 2010 documents after the upgrade to Oracle 11g)
  • 19. RequeueVaultObjects.exe Arguments Examples: • Re-queue failed VOs in the Site repository RequeueVaultObjects -repository Site • Re-queue queued VOs for full text indexing in the R&D repository RequeueVaultObjects -repository "R&D" –status Queued –queues FullTextIndexer • Re-queue untracked VOs Process Chemistry repository RequeueVaultObjects -repository "Process Chemistry" –status Unknown Argument Description Required Default -Repository The repository that will be acted upon Yes N/A -MessageLimit Maximum # of messages that will be created No 100000 -Status The message handling state to be queued No Failed -Queues List of queues to populate No All
  • 20. RequeueVaultObjects.exe Arguments Argument Description Required Default -Repository The repository that will be acted upon Yes N/A -MessageLimit Maximum # of messages that will be created No 100000 -Status The message handling state to be queued No Failed -Queues List of queues to populate No All Examples: • Re-queue failed VOs in the Site repository RequeueVaultObjects -repository Site • Re-queue queued VOs for full text indexing in the R&D repository RequeueVaultObjects -repository "R&D" –status Queued –queues FullTextIndexer • Re-queue untracked VOs Process Chemistry repository RequeueVaultObjects -repository "Process Chemistry" –status Unknown
  • 21. Example Queries • Find items queued for more than a day • Show the indexing status • Items that failed to index in the past day
  • 22. Automation Support • Status tracking + re-queuing enables automation of message handling management activities – Task Scheduler jobs • Re-process all failed items at midnight each day • Process all unknown items on Saturday each week – Large jobs can be split across servers • Ex: queue 25,000 on server 1 then queue the next 25,000 on server 2
  • 23. Summary • Symyx Notebook is rapidly evolving to better serve our customers. Features such as tabbed editors and conditional table formatting make the product more usable and index status tracking makes the server easier to manage. • Other Notebook sessions that may interest you – (ATS3-APP08) Building Symyx Notebook dashboards with Pipeline Pilot – (ATS3-APP09) Integrating Symyx Notebook into an Enterprise Management System – (ATS3-APP13) Tips and Tricks for Monitoring and Managing Symyx Notebook Server Performance – (ATS3-APP14) Troubleshooting Symyx Notebook client performance • Resources – Notebook IT/Admin forum on the Accelrys Community • Email support@accelrys.com to join – Troubleshooting guidance: support@accelrys.com
  • 24. The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision. For more information on the Accelrys Tech Summits and other IT & Developer information, please visit: https://community.accelrys.com/groups/it-dev