May 18th, 2020: Biomolecule Toolkit Docker Image 20.12.0-0.11.0-abdc3378e
Explicit hydrogens, that are belonging to unused attachment points where H is leaving group, can be removed during exporting to MOL format (default setting)
Multiple errors in Monomer controller are collected and returned when monomer validation fails
April 6th, 2020: Biomolecule Toolkit Docker Image 20.10.0-0.10.0- 1fff86c7
The Library Manager is integrated to the Biomolecule Toolkit
HELM to MOL conversion produces better quality head-to-tail cyclic peptide structures with contracted groups
Option for generating peptides with contracted, 1-letter coded natural amino acids during HELM to MOL conversion is added and it is set to default
March 17th, 2020: Biomolecule Toolkit Docker Image 20.8.0-0.9.0- a594ab3d
Now Biomolecule Toolkit can produce MOL files with Al, Br and Cx tags in the SAP blocks of amino acids
Registration of a monomer with unknown attribute produced undefined error message
Monomer registration and update failed if only the Biomolecule Toolkit is upgraded to a newer version
Improved error message upon attempting to convert wildcard 'X' in peptides, and wildcard 'N' in nucleotides to a molfile
February 7th, 2020: Biomolecule Toolkit Docker Image 20.4.0-0.8.2- 800c77d7
Speed of SVG generation is increased for sequential (10-fold) and parallel (15-fold) conversions
January 17th, 2020: Biomolecule Toolkit Docker Image 20.1.0-0.8.1-62d50e33
MOL to HELM conversion of oligonucleotides with a chemical modification on 3' prime broke the phosphate-sugar backbone
HELM to MOL conversion of phosphate linkers was not handled correctly
December 20th, 2019: Biomolecule Toolkit Docker Image 19.27.0-0.8.0-6e217040
Inline chemistry image generation for BioEddie did not include SVG content
December 2nd, 2019: Biomolecule Toolkit Docker Image 19.25.0-0.8.0-ee57fa39
Single residue placeholder 'X' in peptide query sequences and single residue placeholder 'N' in nucleotide query sequences. Placeholder '*' to define any number of unknown monomers (0, 1... n) in peptide and nucleotide query sequences
Import of sequences containing unnatural monomers with separators
HELM to MOL conversion failed for RNAs when 5'-linkers or sugars without nucleobases are present.
MOL to HELM conversion of cyclic structures created invalid HELM strings by swapping R1 and R2 attachment points
November 7th, 2019: Biomolecule Toolkit Docker Image 19.22.0-0.7.0-898dfcbd
Multi-letter monomer abbreviations with '.' separators in query sequences
Derivatives search filter is added to search filters
4th attachment point support is now supported
Upper case and lowercase letters caused errors in searches
April 2nd, 2019: Biomolecule Toolkit Docker Image 19.8.0-0.6.3-999fab6e
See the changes in the Biomolecule Toolkit 19.8.0 improvements and bugfixes.
March 29th, 2019: Biomolecule Toolkit 19.8.0
Updating more than one BLOBs failed with duplication check error.
Sequence converter was not working with cyclic flag.
March 1st, 2019: Biomolecule Toolkit Docker Image 19.6.0-0.6.2-977fa56d
Oracle 11 support was not available.
March 1st, 2019: Biomolecule Toolkit Docker Image 19.6.0-0.6.1-7a656806
See the changes in the Biomolecule Toolkit 19.4.0 improvements and bugfixes.
March 1st, 2019: Biomolecule Toolkit 19.6.0
Security improvement, database endpoints are disabled by default.
February 26th, 2019: Biomolecule Toolkit 19.4.0
Error and result code improvements
Distance based similarity filter is added to search filters
MOL to HELM conversion reduces the number of generated CHEMs that are attached to a e.g. CHEM monomer if their heavy atom number is below four
New parameter for sequence conversion for cyclic sequences
Macromolecule by helm lookup (POST /rest/macromolecules/helm) failed when sending a HELM which did not match any registered macromolecules
New attachment point creation (POST /rest/admin/attachmentPointTypes) failed in Oracle
The entityType property of AttributeOption appeared in Swagger two times under different names: entityType and macromoleculeTypeName
Multiple sugars differing only in stereo information were not recognised correctly
Canonicalization of cyclic RNA sequences resulted in incorrect attachment point information
HELM to MOL conversion failed for RNAs which had a connection at the terminal P linker
New macromolecule type registration failed
February 19th, 2019: Biomolecule Toolkit Docker Image 19.4.0-0.6.0-dfee79db
First release of Biomolecule Toolkit Docker Image.
October 11st, 2018: Biomolecule Toolkit 18.24.0
New Rest endpoint for health check: /health
Data migration from older versions handled automatically
See the detailed description in apichanges_18_24_0.html
Comprehensive API changes will happen in the next releases
July 31st, 2018: Biomolecule Toolkit 18.16.0
“No structure” registration.
New options for entity types to control the rules of structureless macromolecules. The entity type has MUST_CONTAIN, CAN_CONTAIN and MUST_NOT_CONTAIN options.
Structureless rules validation on entity registration.
Lot level registration without structure but with lot level attributes.
Attribute data validation on lot level.
LOT ID generation based on parent ID. (CID)
New page for Lot registration in the Biomolecule registration client.
Flexible ID generation for entity types.
Default settings for generating corporate ID for macromolecules
Admin service to create new ID generating rules by entity types.
Data type validation for attributes.
More flexible additional data definition on macromolecule and component level.
Registering biomolecules with domains.
Response code of get macromolecules by helm service (/rest/macromolecules/helm) was incorrect when the result set was empty.
Macromolecule annotations were not appeared in the output HELM string.
Retrieving macromolecules was slow for 100 monomers components.
July 17th, 2018: Biomolecule Toolkit 18.4.0
HELM2 format has become the primary format in Biomolecule Toolkit.
Cyclic HELM conversion to sequence format failed.
Search with entity type filter in biotoolkit demo page caused error.
Synchronization problem was present in aromatic MonomerCount service.
February 8th, 2018: Biomolecule Toolkit 18.3.0
Two new endpoints for macromolecule property calculation:
Pairwise SequenceAlignment calculation
Aromatic MonomerCount calculation
IsoelectricPoint web service input type has changed, it has fored to text/plain.
HELM2 formatted macromolecule registration is available.
Macromolecule resolvation with bridge connections failed previously.
January 5th, 2018: Biomolecule Toolkit 17.29.0
New default monomer library.
Oracle property template file has been changed.
Isoelectric point calculation API.
Prepare macromolecule domain handling on database level
There were Oracle specific issues.
November 16th, 2017: Biomolecule Toolkit 17.28.0
Fixes security issues for bioreg web client.
November 2nd, 2017: Biomolecule Toolkit 17.22.1
Fixes for build package.
October 18th, 2017: Biomolecule Toolkit 17.22.0
First release of Biomolecule Toolkit.