Configuration page

images/download/attachments/49184773/Admin-Config.png

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

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

Downstream Configuration

PARAMETER

COMMENTS

DATA

PublishEnabled

Controls if JMS publishing of changes is enabled

true

FusedImageFormat

Image format for the fused structure in the published message

mol:V3

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

24

ID Configuration

PARAMETER

COMMENTS

DATA

IdGenerator

Class name of the corporate ID generator

com.chemaxon.registry.identifier.DefaultSequenceGenerator

PcnAllocationLimit

Maximum number of IDs that can be allocated for external use

1000

IdProperties

Configuration of the built-in ID generator

#constant prefix/sufix of a parent identifier: pcn.cnst
#pcn separator (if any): pcn.separator
#increment type (Field.DataType enum value): pcn.increment
#format placeholder for increment value
#decimal format: pcn.increment.format
 
#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
#specify structure field additional data format like this: additionalData.project: cn.str.field
#cn is composed of PCN + cn increment
 
#constant prefix/sufix of a lot identifier: ln.cnst
#ln separator (if any): ln.separator
#increment type (Field.DataType enum value): ln.increment
#format placeholder for increment value: ln.increment.format
#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

{
"cn.increment.format": "%s",
"pcn.str.field": "",
"ln.increment.format": "%03d",
"cn.cnst": "",
"pcn.sequence.format": "pcn.cnst, pcn.increment",
"pcn.increment": "INT",
"cn.increment": "STRING",
"ln.start": "1",
"pcn.increment.format": "%d",
"ln.sequence.format": "pcn.cnst, pcn.increment, ln.separator, ln.increment",
"ln.separator": "-",
"cn.separator": "",
"ln.cnst": "",
"pcn.cnst": "CXN",
"ln.str.field": "",
"pcn.start": "1",
"cn.str.field": "",
"cn.sequence.format": "pcn.cnst, pcn.increment, cn.increment",
"ln.increment": "INT",
"cn.start": "A",
"pcn.separator": ""
}

Mixture Ranges Configuration

PARAMETER

COMMENTS

DATA

RangeDefinition

Ranges and the number of maximum compounds can be defined for multi-component compounds.

{
"ranges": [
{
"id": 1,
"name": "21-44%",
"lowerLimit": 21,
"upperLimit": 45
},
{
"id": 2,
"name": "45-55%",
"lowerLimit": 45,
"upperLimit": 55
},
{
"id": 3,
"name": "56-79%",
"lowerLimit": 55,
"upperLimit": 79
},
{
"id": 4,
"name": "X%",
"lowerLimit": 0,
"upperLimit": 0
},
{
"id": 5,
"name": "Y%",
"lowerLimit": 0,
"upperLimit": 0
},
{
"id": 6,
"name": "Z%",
"lowerLimit": 0,
"upperLimit": 0
}
]
}

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
}
]

Security Configuration

PARAMETER

COMMENTS

DATA

ProjectBasedFilteringEnabled

If disabled, data can be accessed by anyone, regardless of the defined projects

disabled

Filter level: Preparation

If ProjectBasedFilteringEnabled is ON and Preparation is set for the filter: after registering a lot, the user will able to access only those preparations (lots), for which he has specific Project access

Preparation (default)

Filter level: Version

If ProjectBasedFilteringEnabled is ON and Version is set for the filter: after registering a lot, the user will able to access all preparations (lots), even though he has not specific Project access to all.

Version

Filter level: Parent

If ProjectBasedFilteringEnabled is ON and Parent is set for the filter: after registering a lot, the user will able to access all preparations (lots) and versions, even though he has not specific Project access to all.

Parent

Standardizer Configuration

PARAMETER

COMMENTS

DATA

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>

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"/>
<RemoveExplicitH ID="RemoveExplicitH" Lonely="false" Charged="false" Mapped="false" Isotopic="false" Radical="false" Wedged="false"/>
</Actions>
</StandardizerConfiguration>

Stereo Configuration

PARAMETER

COMMENTS

DATA

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;;;;;

IncludeHeteroAtomInStereoAnalysis

Controls whether to include hetero atoms in stereo analysis report

false (default)

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.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>

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>

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>

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>

Structure Display Configuration

PARAMETER

COMMENTS

DATA

ShowCST

Controls if CSTs should be displayed on the fused structure image

true

ShowsaltSolvate

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

true

ShowComponentPCN

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

true

ShowRanges

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

true

ShowVersionLevel

Controls if version level should be displayed on the Browse page

true

Switchers Configuration

PARAMETER

COMMENTS

DATA

SwitchersProperties

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

SwitchersProperties
{
"REGISTER_NEW_LOTS.WEBREG": "true",
"REJECT_DUPLICATED_IDS.ELNB": "true",
"REGISTER_NEW_VERSIONS.ELNBCRO": "true",
"REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNB": "false",
"REGISTER_2D_TAUTOMER_PARENT_MATCHES.REGISTRAR": "false",
"ANALYZE_SALT_SOLVATE_FRAGMENTS.REGISTRAR": "true",
"REGISTER_2D_PARENT_MATCHES.ELNB": "false",
"REGISTER_2D_PARENT_MATCHES.ELNBCRO": "false",
"REGISTER_RESTRICTED_MATCHES.REGISTRAR": "false",
"REGISTER_TAUTOMER_PARENT_MATCHES.ELNB": "false",
"REGISTER_DICTIONARY_CST.ELNBCRO": "true",
"REGISTER_NEW_VERSIONS.REGISTRAR": "true",
"REGISTER_RESTRICTED_MATCHES.BULKLOAD": "false",
"STEREO_COMMENT_CHECK.ELNBCRO": "false",
"REGISTER_2D_TAUTOMER_PARENT_MATCHES.BULKLOAD": "false",
"REGISTER_2D_TAUTOMER_PARENT_MATCHES.WEBREG": "false",
"REJECT_DUPLICATED_IDS.WEBREG": "false",
"ANALYZE_SALT_SOLVATE_FRAGMENTS.WEBREG": "true",
"REJECT_DUPLICATED_IDS.REGISTRAR": "false",
"PERFORM_QUALITY_CHECKS.BULKLOAD": "true",
"REGISTER_RESTRICTED_MATCHES.WEBREG": "false",
"REGISTER_TAUTOMER_PARENT_MATCHES.ELNBCRO": "false",
"REGISTER_DICTIONARY_CST.WEBREG": "true",
"REGISTER_TAUTOMER_PARENT_MATCHES.BULKLOAD": "false",
"REGISTER_DICTIONARY_CST.BULKLOAD": "true",
"REJECT_DUPLICATED_IDS.BULKLOAD": "false",
"REGISTER_TAUTOMER_PARENT_MATCHES.WEBREG": "false",
"REGISTER_NEW_VERSIONS.WEBREG": "true",
"ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNBCRO": "true",
"REGISTER_NEW_VERSIONS.BULKLOAD": "true",
"STEREO_COMMENT_CHECK.ELNB": "false",
"PERFORM_QUALITY_CHECKS.ELNBCRO": "true",
"PERFORM_QUALITY_CHECKS.ELNB": "true",
"REGISTER_NEW_LOTS.ELNBCRO": "true",
"REGISTER_2D_PARENT_MATCHES.WEBREG": "true",
"REGISTER_NEW_LOTS.REGISTRAR": "true",
"STEREO_COMMENT_CHECK.WEBREG": "true",
"STEREO_COMMENT_CHECK.REGISTRAR": "false",
"REJECT_DUPLICATED_IDS.ELNBCRO": "true",
"REGISTER_RESTRICTED_MATCHES.ELNB": "false",
"REGISTER_2D_PARENT_MATCHES.REGISTRAR": "true",
"STEREO_COMMENT_CHECK.BULKLOAD": "false",
"REGISTER_TAUTOMER_PARENT_MATCHES.REGISTRAR": "false",
"REGISTER_RESTRICTED_MATCHES.ELNBCRO": "false",
"REGISTER_NEW_LOTS.ELNB": "true",
"PERFORM_QUALITY_CHECKS.WEBREG": "true",
"REGISTER_NEW_LOTS.BULKLOAD": "true",
"REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNBCRO": "false",
"REGISTER_DICTIONARY_CST.ELNB": "true",
"REGISTER_2D_PARENT_MATCHES.BULKLOAD": "true",
"ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNB": "true",
"PERFORM_QUALITY_CHECKS.REGISTRAR": "true",
"REGISTER_NEW_VERSIONS.ELNB": "true",
"REGISTER_DICTIONARY_CST.REGISTRAR": "true",
"ANALYZE_SALT_SOLVATE_FRAGMENTS.BULKLOAD": "false"
}

Validation Configuration

PARAMETER

COMMENTS

DATA

ValidateSource

Controls if source should be validated during the registration

true

ValidSources

List of valid sources

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

ValidateLNBRef

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

true

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}$

ValidateLotId

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

false

ValidateLotIdUnique

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

true

RoundMultiplicity

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

true

SaltMultiplicityScale

Number of decimal places in salt multiplicity

0

SolvateMultiplicityScale

Number of decimal places in solvate multiplicity

1

PositiveChargeCheck

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

true

UnbalancedChargeCheck

Controls whether the check for unbalanced charges should be enabled

true

MaxMixtureComponentCount

Maximum number of components in a multi-component structure

4

RegisterVirtualCompound

 

true

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

Structure Editor Configuration

PARAMETER

COMMENTS

DATA

EditorType (Default)

The default structure editor can be set

"MARVIN_JS"