Additional Field Configuration

PARAMETER	COMMENTS	DATA
EmailFieldName	Additional data field name that contains the e-mail address of the submitter in case of successful registrations	EMAIL
EmailFailedFieldName	Additional data field name that contains the e-mail address of the submitter in case of failed registrations	FAILED_EMAIL
ToBeReviewed	Additional data field name that is used to force a submission to manual review	TO BE REVIEWED

Autoregister Configuration

PARAMETER	COMMENTS	DATA
AutoAssignSubmissionToChemist	Controls if a failing submission should be assigned automatically to the submitter	false

Bulkloader Configuration

PARAMETER	COMMENTS	DATA
WebServiceHost		[ ]
WebServicePort		[ ]
UseUnmappedFields		false

Client Configuration

PARAMETER	COMMENTS	DATA
DateFormat	Expected date format	yyyy-MM-dd HH:mm:ss
RegistrationSettings	Client side configuration settings for the Registration page	`{` `"isRegisterWithCnButtonVisible"` `:` `true` `,"isSmallStructureLayoutModeEnabled"` `:` `false` `,"isAdvancedModeEnabled"` `:` `false` `,"structureDetailForm": {` `"title"` `:` `"Submission Details"` `,"id"` `:` `"structureDetails"` `,"position"` `:` `"leftcolumn"` `,"isExpanded"` `:` `true` `,"fields"` `: [` `{"fieldName":` `"lnbRef",` `"additional":` `false` `}` `,{"fieldName":` `"source",` `"additional":` `false` `}` `,{"fieldName":` `"molWeight",` `"additional":` `false` `}` `,{"fieldName":` `"submitter",` `"additional":` `false` `}` `]` `}` `}`
StagingSettings	Client side configuration settings for the Staging area	`{` `"maxItemsPerPage": 50,` `"defaultColumns": [` `{` `"label"` `:` `"ID",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"submissionId",` `"colWidth"` `: 94,` `"isDate"` `:` `false,` `"renderer"` `:` `"submissionlink"` `},` `{` `"label"` `:` `"Library",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"library",` `"colWidth"` `: 168,` `"isDate"` `:` `false,` `"renderer"` `:` `"text"` `},` `{` `"label"` `:` `"LnbRef",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"lnbRef",` `"colWidth"` `: 96,` `"isDate"` `:` `false,` `"renderer"` `:` `"text"` `},` `{` `"label"` `:` `"Created on",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"created",` `"colWidth"` `: 160,` `"isDate"` `:` `true,` `"renderer"` `:` `"date"` `},` `{` `"label"` `:` `"Source",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"source",` `"colWidth"` `:` `"",` `"isDate"` `:` `false,` `"renderer"` `:` `"text"` `},` `{` `"label"` `:` `"Submitter",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"creatorId",` `"colWidth"` `:` `"",` `"isDate"` `:` `false,` `"renderer"` `:` `"text"` `},` `{` `"label"` `:` `"Opened by",` `"searchable"` `:` `true,` `"sortable"` `:` `true,` `"referenceKey"` `:` `"inProgressUserId",` `"colWidth"` `:` `"",` `"isDate"` `:` `false,` `"renderer"` `:` `"text"` `},` `{` `"label"` `:` `"Current status",` `"searchable"` `:` `true,` `"sortable"` `:` `false,` `"referenceKey"` `:` `"status",` `"colWidth"` `:` `"",` `"isDate"` `:` `false,` `"renderer"` `:` `"status"` `}` `],` `"tabs": [` `{` `"label"` `:` `"All submissions",` `"filters"` `: []` `},` `{` `"label"` `:` `"My staging",` `"groups"` `: [],` `"filters"` `: [{` `"referenceKey":` `"inProgressUserId",` `"value":` `"${currentUsername}"` `}]` `},` `{` `"label"` `:` `"Unassigned",` `"groups"` `: [],` `"filters"` `: [{` `"referenceKey":` `"inProgressUserId",` `"value":` `""` `}]` `}` `]` `}`
SubmissionSettings	Client side configuration settings for the Submission page	`{` `"editableFields": [` `{` `"label"` `:` `"LnbRef"` `,"referenceObject"` `:` `"summary"` `,"referenceKey"` `:` `"lnbRef"` `,"editable"` `:` `true` `}` `,{` `"label"` `:` `"Molweight"` `,"referenceObject"` `:` `"structure"` `,"referenceKey"` `:` `"overridedMwt"` `,"editable"` `:` `true` `}` `,{` `"label"` `:` `"Restriction"` `,"referenceObject"` `:` `"structure"` `,"referenceKey"` `:` `"restricted"` `,"editable"` `:` `true` `}` `]` `,"readOnlyFields": [` `{` `"label"` `:` `"Created by"` `,"referenceObject"` `:` `"summary"` `,"referenceKey"` `:` `"userId"` `,"editable"` `:` `false` `}` `,{` `"label"` `:` `"Source"` `,"referenceObject"` `:` `"summary"` `,"referenceKey"` `:` `"source"` `,"editable"` `:` `false` `}` `,{` `"label"` `:` `"Calculated molweight"` `,"referenceObject"` `:` `"structure"` `,"referenceKey"` `:` `"mwt"` `,"editable"` `:` `false` `}` `,{` `"label"` `:` `"Molecular formula"` `,"referenceObject"` `:` `"structure"` `,"referenceKey"` `:` `"mf"` `,"editable"` `:` `false` `}` `,{` `"label"` `:` `"Library"` `,"referenceObject"` `:` `"summary"` `,"referenceKey"` `:` `"library"` `,"editable"` `:` `false` `}` `,{` `"label"` `:` `"Submitter"` `,"referenceObject"` `:` `"summary"` `,"referenceKey"` `:` `"creatorId"` `,"editable"` `:` `false` `}` `]` `}`
AmendmentSettings	Client side configuration settings for the Browse page	`{` `"lotLevelIdName":"ln"` `,"primaryData"` `: [` `{` `"label":` `"LnbRef"` `,"scopeReference":` `"selectedNode.data.lnbRef"` `,"showIfEmpty"` `:` `false` `}` `,{` `"label":` `"Molecular Formula"` `,"scopeReference":` `"registryStructure.mf"` `,"showIfEmpty"` `:` `true` `}` `,{` `"label":` `"Mol Weight"` `,"scopeReference":` `"registryStructure.mwt"` `,"showIfEmpty"` `:` `true` `}` `,{` `"label":` `"User Specified Mol Weight"` `,"scopeReference":` `"registryStructure.overridedMwt"` `,"showIfEmpty"` `:` `false` `}` `,{` `"label":` `"Source"` `,"scopeReference":` `"registryStructure.source"` `,"showIfEmpty"` `:` `false` `}` `]` `,"secondaryData"` `: [` `{` `"label":` `"Created by"` `,"scopeReference":` `"selectedNode.data.createdBy"` `,"showIfEmpty"` `:` `false` `}` `,{` `"label":` `"Submitter"` `,"scopeReference":` `"registryStructure.creatorId"` `,"showIfEmpty"` `:` `false` `}` `,{` `"label":` `"Modified by"` `,"scopeReference":` `"selectedNode.data.modifiedBy"` `,"showIfEmpty"` `:` `false` `}` `,{` `"label":` `"Created on"` `,"scopeReference":` `"selectedNode.data.createdOn"` `,"showIfEmpty"` `:` `true` `}` `,{` `"label":` `"Modified on"` `,"scopeReference":` `"selectedNode.data.modifiedOn"` `,"showIfEmpty"` `:` `true` `}` `]` `}`
RegSummaryLinkButton	Client side configuration settings for the link button available on the registration summary dialog Example setting: `{` `"enabled":` `true,` `"buttonText":` `"Google search",` `"buttonIcon":` `"",` `"landingPage":` `"http://www.google.com/search",` `"parameters": [` `{` `"key":` `"q",` `"value":` `"lnbRef"` `},` `]` `}`	`{` `"enabled":` `false,` `"buttonText":` `"MyButton",` `"buttonIcon":` `"",` `"landingPage":` `"http://www.notconfigured.yet",` `"parameters": [` `{` `"key":` `"myParameter",` `"value":` `"lnbRef"` `},` `{` `"key":` `"myFavouriteButton",` `"value":` `"cn"` `}` `]` `}`
Globals		`{` `"serviceUrl":` `"..",` `"productionBuild":` `false,` `"isDashboardPollingEnabled":` `true` `}`
RegistrationSummaryDialog	Client side configuration settings for the registration summary dialog	`[` `{` `"label":` `"PCN"` `,"referenceKey":` `"pcn"` `}` `,{` `"label":` `"CN"` `,"referenceKey":` `"cn"` `}` `,{` `"label":` `"LN"` `,"referenceKey":` `"ln"` `}` `,{` `"label":` `"LnbRef"` `,"referenceKey":` `"lnbRef"` `}` `]`
NavData	Client side configuration settings for the navigation bar	`{` `"mainMenu"` `: [` `{` `"title":` `"Registration",` `"href":` `"/registration",` `"modal":` `false,` `"external":` `false,` `"rolesAllowed": ["AUTOREGISTER",` `"ADVANCED_AUTOREGISTER"]` `},` `{` `"title":` `"Upload",` `"href":` `"/upload",` `"modal":` `false,` `"external":` `false,` `"rolesAllowed": ["BULKLOADER"]` `},` `{` `"title":` `"Staging",` `"href":` `"/staging",` `"modal":` `false,` `"external":` `false,` `"rolesAllowed": ["STAGING_VIEW_SUBMISSION"]` `}` `]` `,"profileMenu"` `: [` `{` `"title":` `"Profile",` `"href":` `"/profile",` `"modal":` `false,` `"external":` `false,` `"rolesAllowed": ["SELF_ADMINISTRATION"]` `},` `{` `"title":` `"Administration",` `"href":` `"/admin",` `"modal":` `false,` `"external":` `false,` `"rolesAllowed": [` `"ADD_SALT_SOLVATE",` `"ROLE_DICTIONARY_MODIFY",` `"USER_ADMINISTRATION"` `]` `},` `{` `"title":` `"Access Control",` `"href":` `"./accesscontrol.html",` `"modal":` `false,` `"external":` `true,` `"rolesAllowed": [` `"USER_ADMINISTRATION",` `"ROLE_ACL_MODIFY_PROJECTS",` `"ROLE_ACL_MODIFY_PROJECTDETAILS"` `]` `}` `]` `,"actionBar"` `: [` `{` `"title":` `"Search",` `"href":` `"/search",` `"modal":` `false,` `"external":` `false,` `"image":` `"style/svg/search_48.svg",` `"rolesAllowed": ["SEARCH_STRUCTURES"]` `},` `{` `"title":` `"Browse",` `"href":` `"/browse",` `"modal":` `false,` `"external":` `false,` `"image":` `"style/svg/browse_48.svg",` `"rolesAllowed": ["AMENDMENT_PAGE_READ"]` `}` `]` `}`
HideSaltSolvates	Salts and Solvates can be hidden from the UI, and also the salt/solvate upload from and SDFile is prohibited.	false

Email Configuration

PARAMETER	COMMENTS	DATA
SendEmailNotification	Controls if e-mail notification should be sent about the result of the registration	false
SendEmailNotificationToSpecifiedAddress	Controls if e-mail notification should be sent to the address specified in the submission	true
EmailSenderAddress	Displayed e-mail address from where the notifications are sent	[email protected]
EmailTemplateSubmissionFeedback	Velocity template of the e-mail content about the result of the registration	submissionFeedback.vm
EmailTemplateSubmissionAttemptFeedback	Velocity template of the e-mail content about the result of the failed registration	submissionAttemptFeedback.vm
EmailTemplatePendingSubmissionNotification	Velocity template of the e-mail content about the list of pending items in Staging area	pendingSubmissionNotification.vm
pendigSubmissionNotificationEnabled	Controls if regular e-mails should be sent about the pending items in Staging area	false
pendingSubmissionTimeIntervalHours	Length of time interval in hours after which a submission in Staging area is considered to be pending	2

Scheduler Configuration

PARAMETER	COMMENTS	DATA
PendingSubmissionsNotificationCronTimer		0 0 0 * * MON-FRI
DownstreamCronTimer		/5 * * * MON-FRI

Search Configuration

PARAMETER	COMMENTS	DATA
Parent	-	Parent `[` `{` `"fieldName":` `"structure"` `,"additional":` `false` `}` `,{` `"fieldName":` `"cst"` `,"additional":` `false` `}` `,{` `"fieldName":` `"pcn_reg"` `,"additional":` `false` `}` `,{` `"fieldName":` `"parentRegisteredBy"` `,"additional":` `false` `}` `,{` `"fieldName":` `"parentCreatedOn"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mwtStructure"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mf"` `,"additional":` `false` `}` `]`
Version		Version `[` `{` `"fieldName":` `"structure"` `,"additional":` `false` `}` `,{` `"fieldName":` `"cst"` `,"additional":` `false` `}` `,{` `"fieldName":` `"cn_reg"` `,"additional":` `false` `}` `,{` `"fieldName":` `"versionRegisteredBy"` `,"additional":` `false` `}` `,{` `"fieldName":` `"versionCreatedOn"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mwtVersionWithSalt"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mf"` `,"additional":` `false` `}` `]`
Lot		Lot `[` `{` `"fieldName":` `"structure"` `,"additional":` `false` `}` `,{` `"fieldName":` `"cst"` `,"additional":` `false` `}` `,{` `"fieldName":` `"ln_reg"` `,"additional":` `false` `}` `,{` `"fieldName":` `"lotRegisteredBy"` `,"additional":` `false` `}` `,{` `"fieldName":` `"lotCreatedOn"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mwtVersionWithSalt"` `,"additional":` `false` `}` `,{` `"fieldName":` `"mf"` `,"additional":` `false` `}` `]`

Structure Checker Configuration

PARAMETER

COMMENTS

DATA

StructureCheckerConfig

Source independent structure checker configuration (quality checks)

Default value

<?xml version="1.0" encoding="UTF-8" standalone="no"?>
<checkers>
  <ThreeDimensionChecker FixMode="fix" FixerClassName="chemaxon.fixers.CleanFixer"/>
  <RareElementChecker FixMode="do_not_fix"/>
  <RadicalChecker FixMode="fix" FixerClassName="chemaxon.fixers.RemoveRadicalFixer"/>
  <MultiCenterChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.RemoveAtomFixer"/>
  <ValenceErrorChecker FixMode="fix" FixerClassName="chemaxon.fixers.ValenceFixer" allowTraditionalNitrogen="true"/>
  <CoordinationSystemErrorChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.RemoveBondFixer"/>
  <CovalentCounterionChecker FixMode="fix" FixerClassName="chemaxon.fixers.CovalentCounterionFixer"/>
  <SubstructureChecker FixMode="do_not_fix" name="Acylhalide_substructure_found" reactionSmarts="[Cl,Br,F,I]C=O "/>
</checkers>
 

StructureCheckerConfig.REGISTRAR

Structure checker configuration for the specified source

EXAMPLE

Default value

 <?xml version="1.0" encoding="UTF-8" standalone="no"?>
<checkers>
 <WigglyBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToSingleBondFixer"/>
 <CrossedDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/>
 <StraightDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/>
</checkers>

The complete list of the available Structure Checkers can be found here.

Workflow Configuration

PARAMETER	COMMENTS	DATA
WorkflowSteps (Default)		[ ]
WorkflowSteps (AMEND_PARENT)	Workflow steps when changing the parent	AmendmentIdTypeValidator,IdExistsValidator,ParentFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,ParentMultiplicityValidator,ChargeValidator,AmfValidator,RejectParentStructureTypeChangeValidator,SingleStructureValidator,StructureChangeForAmendmentValidator
WorkflowSteps (REGISTER_MANUAL)	Workflow steps when registering from the Submission page	SourceValidator,LotIdValidator,LnbRefValidator,LnbRefChangeValidation,FieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,SaltFragmentsValidator,ChargeValidator,StructureQualityCheckerValidator,StereoCommentsGenerator
WorkflowSteps (REGISTER_AUTO)	Workflow steps when registering from the Registration page	SourceValidator,LotIdValidator,LnbRefValidator,ToBeReviewedValidator,RejectMarkushValidator,FieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,SaltFragmentsValidator,ChargeValidator,StructureCheckerValidator,StructureQualityCheckerValidator,SaltFragmentsValidator,StereoCommentsValidator
WorkflowSteps (AMEND_LOT)	Workflow steps when changing the lot	AmendmentIdTypeValidator,IdExistsValidator,PreparationFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,ChargeValidator,StructureQualityCheckerValidator,StructureChangeForAmendmentValidator
WorkflowSteps (AMEND_VERSION)	Workflow steps when changing the version	AmendmentIdTypeValidator,IdExistsValidator,VersionFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,ChargeValidator,StructureChangeForAmendmentValidator
WorkflowSteps (REGISTER_LOT)	Workflow steps when using the Register lot option (from the Registration/Submission/Browse pages)	RegisterLotValidator,LotIdValidator,LnbRefValidator,LnbRefChangeValidation,FieldValidator,FieldGenerator