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

Mike WilsonAdvisory Product Managermike.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

Cross Experiment Analysis

Usability Enhancements

• Cross-experiment Analysis and Reporting• Hosted within NBE• Reports developed/extensible using PLP

Reporting Collection Components• Usability Enhancements

• Experiment viewing in tabbed layout• Work Request node in NBE Browse pane• Recipe execution usability• Ability to set a Form section as the preview

section• Quick File tool panel for quick access to

desktop folder locations

Notebook 6.6 SP2Sept 2011

Client Application Release

Tile Experiments for Viewing

Access your Analysis and Reports

New Analysis Pane in Notebook Explorer

Browse for Desired Report

Enter Parameters for Report Graphical and

Tabular Results

Immediate Access to your Data Files

Drag into File Sections

Assign Quick File to Local and Network

Folders

Notebook 6.6 Section Update 3

Synthetic Chemistry

Customer Enhancements

• Synthetic Chemistry• Multiple material lots• Material Import enhancements• SDK access to SN6 libraries

• Customer Enhancements• Table section row re-ordering• mol/mol units• Table section usability

o Conditional row/column highlightingo Ability to pin columns for scrollingo Column header wrapping/grouping

Notebook 6.6 Update 3Feb 24, 2012

Section Update Release

New Capability Highlights

• Process Chemistry– Multi-lot materials – 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

Functionality Usability

Table Formatting for Usability

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

saved with section template

Set precedence of conflicting rules by reordering

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

Index Status Tracking for AVS 6.6

• 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

Design Goals

• 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

Index Status Tracking Implementation

• New table in each repository schema• Tracking records are added as VOs are saved

– No records will exist in this table upon install/upgrade

Message Handler Status Table

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

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

Message Handler States

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

• 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)

Re-Queuing Utility

Examples:• Re-queue failed VOs in the Site repository

RequeueVaultObjects -repository Site

• Re-queue queued VOs for full text indexing in the R&D repositoryRequeueVaultObjects -repository "R&D" –status Queued –queues FullTextIndexer

• Re-queue untracked VOs Process Chemistry repositoryRequeueVaultObjects -repository "Process Chemistry" –status Unknown

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 repositoryRequeueVaultObjects -repository Site

• Re-queue queued VOs for full text indexing in the R&D repositoryRequeueVaultObjects -repository "R&D" –status Queued –queues FullTextIndexer

• Re-queue untracked VOs Process Chemistry repositoryRequeueVaultObjects -repository "Process Chemistry" –status Unknown

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

Example Queries

• Find items queued for more than a day

• Show the indexing status

• Items that failed to index in the past day

• 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

Automation Support

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