Business Workflow Settings and Web UI Customization

The following configuration options are exposed via the administration web UI:

DOMAIN

PARAMETER

COMMENTS

DATA

registration.additionalField

EmailFieldName

Additional data field name that contains the e-mail address of the submitter

EMAIL

registration.additionalField

StereoComment

Additional data field name that contains the stereochemistry comment

Stereochemistry

registration.additionalField

GeometricComment

Additional data field name that contains the geometric isomerism comment

Geometric isomerism

registration.additionalField

Project

Additional data field name that contains the project information

Project

registration.additionalField

Restriction

Additional data field name that contains the restriction information

Hide restrict

registration.additionalField

ToBeReviewed

Additional data field name that is used to force a submission to manual review

TO BE REVIEWED

registration.additionalField

ParentAdditionalData

Additional data fields stored on parent level

[ ]

registration.additionalField

VersionAdditonalData

Additional data fields stored on version level

[ ]

registration.additionalField

PreparationAdditionalData

Additional data fields stored on preparation level

[ ]

registration.additionalField

AppendAdditionalDataOnParentMatch

Controls if additional data fields should be appended in case of parent matches

true

registration.additionalField

AppendAdditionalDataOnVersionMatch

Controls if additional data fields should be appended in case of version matches

true

registration.autoregConfig

AutoAssignSubmissionToChemist

Controls if a failing submission should be assigned automatically to the submitter

false

registration.clientConfig

EditableAdditionalDataKeys

-------------------

["PURITY","QC","PROJECT","PCN","CN"]

registration.clientConfig

DateFormat

Expected date format in the search page input field – DO NOT MODIFY

yyyy-MM-dd HH:mm:ss

registration.clientConfig

SubmissionSettings

Client side configuration settings for the Submission page

Default value
{
"structureCheckerUrl": "http://localhost:8180/webservices2/rest-v0/util/calculate/structureChecker",
"structureCheckingDelay": 500,
"primaryFields": {
"rows": [
[
{
"label": "LnbRef",
"referenceObject": "summary",
"referenceKey": "lnbRef",
"editable": true
},
{
"label": "CST",
"referenceObject": "structure",
"referenceKey": "cst",
"editable": true
},
{
"label": "Calculated molweight",
"referenceObject": "structure",
"referenceKey": "mwt",
"editable": false
},
{
"label": "Molweight",
"referenceObject": "structure",
"referenceKey": "overridedMwt",
"editable": true
},
{
"label": "Molecular formula",
"referenceObject": "structure",
"referenceKey": "mf",
"editable": false
},
{
"label": "Restriction",
"referenceObject": "structure",
"referenceKey": "restricted",
"editable": true
}
]
]
},
"summaryFields": {
"rows": [
[
{
"label": "Lot ID",
"referenceObject": "summary",
"referenceKey": "lotId",
"editable": false
},
{
"label": "Attempt ID",
"referenceObject": "summary",
"referenceKey": "attemptId",
"editable": false
},
{
"label": "Source",
"referenceObject": "summary",
"referenceKey": "source",
"editable": false
},
{
"label": "Submitter",
"referenceObject": "summary",
"referenceKey": "creatorId",
"editable": false
},
{
"label": "Created by",
"referenceObject": "summary",
"referenceKey": "userId",
"editable": false
}
]
]
},
"additionalFields": {
"rows": [
[
{
"label": "Lot ID",
"referenceObject": "summary",
"referenceKey": "lotId",
"editable": true
},
{
"label": "Source",
"referenceObject": "summary",
"referenceKey": "source",
"editable": true
},
{
"label": "Submitter",
"referenceObject": "summary",
"referenceKey": "userId",
"editable": true
},
{
"label": "Created by",
"referenceObject": "summary",
"referenceKey": "creatorId",
"editable": true
}
]
]
}
}

registration.clientConfig

RegistrationSummaryDialog

Client side configuration settings for the registration summary dialog

Default value
[
{
"label": "PCN",
"referenceKey": "pcn"
},
{
"label": "CN",
"referenceKey": "cn"
},
{
"label": "LN",
"referenceKey": "ln"
},
{
"label": "LnbRef",
"referenceKey": "lnbRef"
},
{
"label": "Lot id",
"referenceKey": "lotId"
}
]

registration.clientConfig

RegSummaryLinkButton

Client side configuration settings for the link button available on the registration summary dialog
Example setting:

Default value
{
"enabled": true,
"buttonText": "Google search",
"buttonIcon": "",
"landingPage": "http://www.google.com/search",
"parameters": [
{
"key": "q",
"value": "lnbRef"
},
]
}
Default value
{
"enabled": false,
"buttonText": "MyButton",
"buttonIcon": "",
"landingPage": "http://www.notconfigured.yet",
"parameters": [
{
"key": "myParameter",
"value": "lnbRef"
},
{
"key": "myFavouriteButton",
"value": "cn"
}
]
}

registration.clientConfig

SearchSettings

Client side configuration settings for the Search page

Default value
{
"tableColumns": [
{
"id": "SaltsAndSolvates",
"resultObjectKey": "SaltsAndSolvates",
"label": "Salt info",
"isShown": true,
"sortable": false
},
{
"id": "PCN",
"resultObjectKey": "PCN",
"label": "PCN",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "CN",
"resultObjectKey": "CN",
"label": "CN",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "LN",
"resultObjectKey": "LN",
"label": "LN",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "LNBREF",
"resultObjectKey": "LnbRef",
"label": "LnbRef",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "PROJECT_ID",
"label": "Project",
"resultObjectKey": "Project",
"isShown": true,
"sortable": false,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "CST_ORIGINAL",
"resultObjectKey": "Cst",
"label": "CST",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Similar To",
"displayname": "Similar To"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "MWT",
"resultObjectKey": "VersionStrMwt",
"label": "MolWeight (Structure)",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "CALCULATED_MWT",
"resultObjectKey": "Mwt",
"label": "MolWeight (Structure + Salt)",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "MF",
"resultObjectKey": "Mf",
"label": "Formula",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "STEREOCHEMISTRY",
"resultObjectKey": "Stereochemistry",
"label": "Stereochemistry",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "GEOMETRIC_ISOMERISM",
"resultObjectKey": "GeometricIsomerism",
"label": "Geometric isomerism",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "INIT_DATE",
"resultObjectKey": "CreatedOn",
"label": "Created on",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
}
]
},
{
"id": "CHEMIST_ID",
"resultObjectKey": "Submitter",
"label": "Submitter",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "CREATED_BY",
"resultObjectKey": "RegisteredBy",
"label": "Registered by",
"isShown": true,
"sortable": true,
"operators": [
{
"value": "None",
"displayname": "Ignore"
},
{
"value": "Equals",
"displayname": "="
},
{
"value": "Different",
"displayname": "<>"
},
{
"value": "Less Than",
"displayname": "<"
},
{
"value": "Greater Than",
"displayname": ">"
},
{
"value": "Like",
"displayname": "Like"
},
{
"value": "Not Like",
"displayname": "Not Like"
}
]
},
{
"id": "AdditionalData",
"resultObjectKey": "AdditionalData",
"label": "Additional Data",
"isShown": true,
"sortable": false
},
{
"id": "SearchMatch",
"resultObjectKey": "SearchMatch",
"label": "Match Type",
"isShown": true,
"sortable": false
},
{
"id": "action",
"label": "Action",
"resultObjectKey": "Action",
"isShown": true,
"sortable": false
}
]
}

registration.clientConfig

NavData

Client side configuration settings for the navigation bar

Default value
[
{
"title": "Registration",
"href": "/registration",
"modal": false,
"external": false
},
{
"title": "Bulkloader",
"href": "/bulkloader",
"modal": false,
"external": false
},
{
"title": "Staging",
"href": "/staging",
"modal": false,
"external": false
},
{
"title": "Amendment",
"href": "./amendment.html",
"modal": false,
"external": true,
"rolesAllowed": [
"AMEND_LOT",
"AMEND_VERSION",
"AMEND_PARENT",
"AMENDMENT_PAGE_READ"
]
},
{
"title": "Audit",
"href": "./audit.html",
"modal": true,
"external": false,
"rolesAllowed": [
"SHOW_AUDIT"
]
},
{
"title": "Search",
"href": "./search.html",
"modal": true,
"external": false
},
{
"title": "Salt Search",
"href": "./searchsalt.html",
"modal": true,
"external": false
},
{
"title": "Administration",
"href": "./admin.html",
"modal": false,
"external": true
}
]

registration.clientConfig

StagingSettings

Client side configuration settings for the Staging table

Default value
{
"maxItemsPerPage": 50,
"defaultColumns": [
{
"label": "ID",
"searchable": true,
"sortable": true,
"referenceKey": "submissionId",
"colWidth": 94,
"isDate": false,
"renderer": "submissionlink"
},
{
"label": "Attempt ID",
"searchable": true,
"sortable": true,
"referenceKey": "attemptId",
"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": "My staging",
"groups": [],
"filters": [
{
"referenceKey": "inProgressUserId",
"value": "${currentUsername}"
}
]
},
{
"label": "Unassigned",
"groups": [],
"filters": [
{
"referenceKey": "inProgressUserId",
"value": ""
}
]
},
{
"label": "All submissions",
"filters": []
}
]
}

registration.clientConfig

RegistrationSettings

Client side configuration settings for the Registration page

Default value
{
"isRegisterWithCnButtonVisible": true,
"isSmallStructureLayoutModeEnabled": false,
"isAdvancedModeEnabled": false,
"forms": [
{
"title": "Submission details",
"id": "structureDetails",
"position": "leftcolumn",
"fields": [
{
"label": "LnbRef",
"binding": "lnbRef",
"type": "text",
"validationRules": [
"required"
],
"placeholder": "E.g. N1111-1-1",
"defaultValue": ""
},
{
"label": "Lot ID",
"binding": "lotId",
"type": "text",
"validationRules": [
"required",
"uint32",
"notzero"
],
"placeholder": "E.g. 1234",
"defaultValue": ""
},
{
"label": "Source",
"binding": "source",
"type": "select",
"validationRules": [
"required"
],
"placeholder": "Select source",
"values": [
"Registrar",
"Webreg",
"ELNB"
],
"defaultValue": "Registrar"
},
{
"label": "Specified molweight",
"binding": "molWeight",
"type": "text",
"validationRules": [
"float",
"notzero",
"positive"
],
"placeholder": "",
"defaultValue": ""
},
{
"label": "Submitter",
"binding": "submitter",
"type": "text",
"validationRules": [],
"placeholder": "Username of the submitter",
"defaultValue": "${currentUsername}"
}
]
}
]
}

registration.clientConfig

Globals

Global client side configuration settings

Default value
{
"serviceUrl": "..",
"source": "Registrar",
"marvinDir": "./marvin",
"inProgressTime": 2000,
"productionBuild": false,
"preparationIdTypeInStructureTree": "LNBREF",
"structureCheckerUrl": "http://localhost:8180/webservices2/rest-v0/util/calculate/structureChecker",
"structureCheckingDelay": 500,
"additionalDataForm": {
"title": "Additional data",
"id": "additionalData",
"position": "rightcolumn",
"fields": [
{
"label": "Project",
"binding": "Project",
"type": "combobox",
"validationRules": [],
"placeholder": "",
"defaultValue": "",
"values": "/projectManagement/projects"
},
{
"label": "Stereochemistry",
"binding": "Stereochemistry",
"type": "combobox",
"validationRules": [],
"placeholder": "",
"defaultValue": "",
"values": "/dictionaryManagement/dictionaries/Stereochemistry/items"
},
{
"label": "Geometric isomerism",
"binding": "Geometric isomerism",
"type": "combobox",
"validationRules": [],
"placeholder": "",
"defaultValue": "",
"values": "/dictionaryManagement/dictionaries/Geometric%20Isomerism/items"
},
{
"label": "General comment",
"binding": "generalComment",
"type": "textarea",
"validationRules": [],
"placeholder": "",
"defaultValue": ""
}
]
}
}

registration.clientConfig

AmendmentSettings

Client side configuration settings for the Amendment page

Default value
{
"lotLevelIdName": "ln",
"primaryDetails": [
{
"label": "LnbRef",
"scopeReference": "selectedNode.data.lnbRef",
"showIfEmpty": false
},
{
"label": "Molecular Formula",
"scopeReference": "registryStructure.mf",
"showIfEmpty": false
},
{
"label": "Mol Weight",
"scopeReference": "registryStructure.mwt",
"showIfEmpty": false
},
{
"label": "User Specified Mol Weight",
"scopeReference": "registryStructure.overridedMwt",
"showIfEmpty": false
},
{
"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
},
{
"label": "Restriction",
"scopeReference": "registryStructure.restricted",
"showIfEmpty": false
}
]
}

registration.dataReaderConfig

JdbcUrl.lnbRefQuery

JDBC URL information for the data reader for extra data based on LnbRef

jdbc:mysql://localhost:3306/external?user=regsys&password=regsys

registration.dataReaderConfig

DbQuery.lnbRefQuery

Database query (prepared SQL statement) for the data reader for extra data based on LnbRef

SELECT id, comment FROM external WHERE comment LIKE ?

registration.dataReaderConfig

DbParamTypes.lnbRefQuery

List of parameter types of the prepared SQL statement for the data reader for extra data based on LnbRef

STRING

registration.dataReaderConfig

Enabled.lnbRefQuery

Controls whether the data reader for extra data based on LnbRef is enabled on the client pages

false

registration.downstreamConfig

PublishEnabled

Controls if JMS publishing of changes is enabled

true

registration.downstreamConfig

FusedImageFormat

Image format for the fused structure in the published message

mol:V3

registration.emailConfig

SendEmailNotification

Controls if e-mail notification should be sent about the result of the registration

false

registration.emailConfig

SendEmailNotificationToSpecifiedAddress

Controls if e-mail notification should be sent to the address specified in the submission

true

registration.emailConfig

EmailSenderAddress

Displayed e-mail address from where the notifications are sent

[email protected]

registration.emailConfig

EmailTemplateSubmissionFeedback

Velocity template of the e-mail content about the result of the registration

submissionFeedback.vm

registration.emailConfig

EmailTemplatePendingSubmissionNotification

Velocity template of the e-mail content about the list of pending items in Staging area

pendingSubmissionNotification.vm

registration.emailConfig

pendigSubmissionNotificationEnabled

Controls if regular e-mails should be sent about the pending items in Staging area

false

registration.emailConfig

pendingSubmissionTimeIntervalHours

Length of time interval in hours after which a submission in Staging area is considered to be pending

24

registration.idConfig

IdGenerator

Class name of the corporate ID generator

com.chemaxon.registry.identifier.DefaultSequenceGenerator

registration.idConfig

PcnAllocationLimit

Maximum number of IDs that can be allocated for external use

1000

registration.idConfig

IdProperties

Configuration of the built-in ID generator

Default value
###Descriptor file for ID generation configurations.
 
##parent descriptor configuration
#constant prefix/sufix of a parent identifier
pcn.cnst=CXN
#pcn separator (if any)
pcn.separator=
#increment type (Field.DataType enum value)
pcn.increment=INT
#format placeholder for increment value
#decimal format
pcn.increment.format=%d
pcn.start=1
pcn.str.field=
pcn.sequence.format=pcn.cnst, pcn.increment
 
##version descriptor configuration
#constant prefix/sufix of a version identifier
cn.cnst=
#cn separator (if any)
cn.separator=
#increment type (Field.DataType enum value)
cn.increment=STRING
#format placeholder for increment value
cn.increment.format=%s
cn.start=A
#specify structure field additional data format like this: additionalData.project
cn.str.field=
#cn is composed of PCN + cn increment
cn.sequence.format=pcn.cnst, pcn.increment, cn.increment
 
##lot descriptor configuration
#constant prefix/sufix of a lot identifier
ln.cnst=
#ln separator (if any)
ln.separator=-
#increment type (Field.DataType enum value)
ln.increment=INT
#format placeholder for increment value
ln.increment.format=%03d
ln.start=1
#specify structure field additional data format like this: additionalData.project
ln.str.field=
#ln is composed of PCN + ln separator + ln increment ! make sure its unique
ln.sequence.format=pcn.cnst, pcn.increment, ln.separator, ln.increment

registration.installerConfig

GlobalProjectAccessEnabled

Controls if data can be accessed by anyone, regardless of the defined projects

true

registration.scheduler

pendingSubmissionsNotificationCronTimer

Cron expression that descibes the schedule of the pending submission notifications

0 0 0 * * MON-FRI

registration.searchConfig

DissimilarityThreshold

Dissimilarity threshold for Markush overlap search

0.95f

registration.standardizerConfig

StandardizerGeneralConfig

Standardizer configuration

Default value
<?xml version="1.0" encoding="UTF-8"?>
<StandardizerConfiguration>
<Actions>
<Dearomatize ID="Dearomatize"/>
<Sgroups ID="ExpandGroups" Exclude="Boc,Z,Ala,A" Act="Expand"/>
<Transformation ID="Transform Nitro" Structure="[O-:2][N+:1]=[O:3]&gt;&gt;[O:2]=[N:1]=[O:3] |^1:1,4,(-6.41,.62,;-5.08,-.16,;-3.74,.62,;1.92,.31,;3.51,.31,;5,.31,)|" SearchOptions="sep=, undefinedRAtom:a"/>
<Transformation ID="Transform Nitroso" Structure="[#6][NH2+:1][O;X1-:2]&gt;&gt;[#6][N:1]=[O:2] |(-7.95,.49,;-6.41,.49,;-5.64,1.83,;3.01,.26,;4.6,.26,;5.32,1.59,)|"/>
<RemoveExplicitH ID="RemoveExplicitH" Lonely="false" Charged="false" Mapped="false" Isotopic="false" Radical="false" Wedged="false"/>
</Actions>
</StandardizerConfiguration>

registration.standardizerConfig

StandardizerParentConfig

Standardizer configuration used for the parent level – DO NOT MODIFY

Default value
<?xml version="1.0" encoding="UTF-8"?>
<StandardizerConfiguration>
<Actions>
<Neutralize ID="Neutralize"/>
<ClearIsotopes ID="ClearIsotopes"/>
<RemoveExplicitH ID="RemoveExplicitH" Lonely="false" Charged="false" Mapped="false" Isotopic="false" Radical="false" Wedged="false"/>
</Actions>
</StandardizerConfiguration>

registration.stereo

StereoCommentsConfig

Logic of stereo comment generation – DO NOT MODIFY

Default value
;TOTAL_DOUBLE_BONDS;CROSS_STRAIGHT;E;Z;MAJOR_DOUBLE_BOND;UNKNOWN_DOUBLE_BOND;TOTAL_STEREOCENTERS;MAJOR_STEREOCENTER;RESOLVED_KNOWN;RESOLVED_UNKNOWN_OR_FLAG;RESOLVED_UNKNOWN_KNOWN_RELATIVE;RACEMIC_AND_FLAG;RACEMIC_KNOWN_RELATIVE
db_none;0;;;;;;;;;;;;
db_e;1;0;1;0;0;0;;;;;;;
db_z;1;0;0;1;0;0;;;;;;;
db_known;2;0;1;1;0;0;;;;;;;
db_single_unknown;1;0;;;0;1;;;;;;;
db_equal_mixture;1;1;;;0;0;;;;;;;
db_unequal_mixture;1;;;;1;;;;;;;;
db_unknown;1;1;;;;;;;;;;;
sc_achiral;;;;;;;0;;;;;;
sc_diastereomeric_mixture;;;;;;;2;0;;;;1;0
sc_racemic_known_relative;;;;;;;2;0;;;;;2
sc_racemic;;;;;;;1;0;0;0;0;1;
sc_single_known;;;;;;;1;0;1;0;0;0;0
sc_single_unknown;;;;;;;1;0;;1;0;0;0
sc_single_unknown_known_relative;;;;;;;2;0;;;2;0;0
sc_unequal_mixture;;;;;;;1;1;;;;;

registration.stereo

IncludeHeteroAtomInStereoAnalysis

Controls whether to include hetero atoms in stereo analysis report

false

registration.structureCheckerConfig

StructureCheckerConfig.BULKLOAD

Structure checker configuration for the specified source

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>
 

registration.structureCheckerConfig

StructureCheckerConfig.ELNB

Structure checker configuration for the specified source

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>
 

registration.structureCheckerConfig

StructureCheckerConfig.ELNBCRO

Structure checker configuration for the specified source

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>
 

registration.structureCheckerConfig

StructureCheckerConfig.REGISTRAR

Structure checker configuration for the specified source

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>
 

registration.structureCheckerConfig

StructureCheckerConfig.WEBREG

Structure checker configuration for the specified source

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>
 

registration.structureCheckerConfig

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="ask"/>
<RadicalChecker FixMode="fix" FixerClassName="chemaxon.fixers.RemoveRadicalFixer"/>
<MultiCenterChecker FixMode="ask" FixerClassName="chemaxon.fixers.RemoveAtomFixer"/>
<ValenceErrorChecker FixMode="fix" FixerClassName="chemaxon.fixers.ValenceFixer" allowTraditionalNitrogen="true"/>
<CoordinationSystemErrorChecker FixMode="ask" FixerClassName="chemaxon.fixers.RemoveBondFixer"/>
<CovalentCounterionChecker FixMode="fix" FixerClassName="chemaxon.fixers.CovalentCounterionFixer"/>
<SubstructureChecker FixMode="ask" name="Acylhalide_substructure_found" reactionSmarts="[Cl,Br,F,I]C=O "/>
<WedgeErrorChecker FixMode="ask"/>
</checkers>
 

registration.structureDisplay

ShowCST

Controls if CSTs should be displayed on the fused structure image

true

registration.structureDisplay

ShowsaltSolvate

Controls if salts and solvates should be displayed on the fused structure image

true

registration.structureDisplay

ShowComponentPCN

Controls if component PCNs should be displayed on the fused structure image

true

registration.structureDisplay

ShowRanges

Controls if mixture ranges should be displayed on the fused structure image

true

registration.structureDisplay

ShowVersionLevel

Controls if version level should be displayed on the Amendment page

true

registration.switchersConfig

SwitchersProperties

System switcher configuration for all sources in java properties format ([SWITCHERNAME].[SOURCE]=[true/false])

Default value
ANALYZE_SALT_SOLVATE_FRAGMENTS.REGISTRAR=true
ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNB=true
ANALYZE_SALT_SOLVATE_FRAGMENTS.BULKLOAD=false
ANALYZE_SALT_SOLVATE_FRAGMENTS.WEBREG=true
ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNBCRO=true
 
REGISTER_NEW_LOTS.REGISTRAR=true
REGISTER_NEW_LOTS.ELNB=true
REGISTER_NEW_LOTS.BULKLOAD=true
REGISTER_NEW_LOTS.WEBREG=true
REGISTER_NEW_LOTS.ELNBCRO=true
 
REGISTER_NEW_VERSIONS.REGISTRAR=true
REGISTER_NEW_VERSIONS.ELNB=true
REGISTER_NEW_VERSIONS.BULKLOAD=true
REGISTER_NEW_VERSIONS.WEBREG=true
REGISTER_NEW_VERSIONS.ELNBCRO=true
 
REGISTER_2D_PARENT_MATCHES.REGISTRAR=true
REGISTER_2D_PARENT_MATCHES.ELNB=false
REGISTER_2D_PARENT_MATCHES.BULKLOAD=true
REGISTER_2D_PARENT_MATCHES.WEBREG=true
REGISTER_2D_PARENT_MATCHES.ELNBCRO=false
 
REGISTER_TAUTOMER_PARENT_MATCHES.REGISTRAR=false
REGISTER_TAUTOMER_PARENT_MATCHES.ELNB=false
REGISTER_TAUTOMER_PARENT_MATCHES.BULKLOAD=false
REGISTER_TAUTOMER_PARENT_MATCHES.WEBREG=false
REGISTER_TAUTOMER_PARENT_MATCHES.ELNBCRO=false
 
REGISTER_2D_TAUTOMER_PARENT_MATCHES.REGISTRAR=false
REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNB=false
REGISTER_2D_TAUTOMER_PARENT_MATCHES.BULKLOAD=false
REGISTER_2D_TAUTOMER_PARENT_MATCHES.WEBREG=false
REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNBCRO=false
 
REGISTER_RESTRICTED_MATCHES.REGISTRAR=false
REGISTER_RESTRICTED_MATCHES.ELNB=false
REGISTER_RESTRICTED_MATCHES.BULKLOAD=false
REGISTER_RESTRICTED_MATCHES.WEBREG=false
REGISTER_RESTRICTED_MATCHES.ELNBCRO=false
 
PERFORM_QUALITY_CHECKS.REGISTRAR=true
PERFORM_QUALITY_CHECKS.ELNB=true
PERFORM_QUALITY_CHECKS.BULKLOAD=true
PERFORM_QUALITY_CHECKS.WEBREG=true
PERFORM_QUALITY_CHECKS.ELNBCRO=true
 
REJECT_DUPLICATED_IDS.REGISTRAR=false
REJECT_DUPLICATED_IDS.ELNB=true
REJECT_DUPLICATED_IDS.BULKLOAD=false
REJECT_DUPLICATED_IDS.WEBREG=false
REJECT_DUPLICATED_IDS.ELNBCRO=true
 
REGISTER_DICTIONARY_CST.REGISTRAR=true
REGISTER_DICTIONARY_CST.ELNB=true
REGISTER_DICTIONARY_CST.BULKLOAD=true
REGISTER_DICTIONARY_CST.WEBREG=true
REGISTER_DICTIONARY_CST.ELNBCRO=true
 
STEREO_COMMENT_CHECK.REGISTRAR=false
STEREO_COMMENT_CHECK.ELNB=false
STEREO_COMMENT_CHECK.BULKLOAD=false
STEREO_COMMENT_CHECK.WEBREG=true
STEREO_COMMENT_CHECK.ELNBCRO=false

registration.validationConfig

ValidateSource

Controls if source should be validated during the registration

true

registration.validationConfig

ValidSources

List of valid sources

["REGISTRAR","ELNB","BULKLOAD","WEBREG","ELNBCRO"]

registration.validationConfig

ValidateLNBRef

Controls if LnbRef should be validated against the regular expressions during the registration

true

registration.validationConfig

ValidateLnbRefRegexp

List of regular expressions used to validate the submitted LnbRef

^[N]{1}[0-9]{3,6}-[0-9]{1,4}-[0-9]{1,4}$ ^[A-Z0-9]{1,20}$

registration.validationConfig

ValidateLotId

Controls if the existence of Lot ID should be validated during the registration

true

registration.validationConfig

ValidateLotIdUnique

Controls if the uniqueness of Lot ID should be validated during the registration

true

registration.validationConfig

RoundMultiplicity

Controls if salt/solvate multiplicity should be rounded during the registration

true

registration.validationConfig

SaltMultiplicityScale

Number of decimal places in salt multiplicity

0

registration.validationConfig

SolvateMultiplicityScale

Number of decimal places in solvate multiplicity

1

registration.validationConfig

PositiveChargeCheck

Controls whether the check for stuctures with positive charges should be enabled

true

registration.validationConfig

UnbalancedChargeCheck

Controls whether the check for unbalanced charges should be enabled

true

registration.validationConfig

MaxMixtureComponentCount

Maximum number of components in a multi-component structure

4