yyyy-mm-dd
- Features and Improvements:
- Fixes
2022-11-09
-
Features and Improvements:
- Allow selection of default drawing editor on individual user level settings Allow selection of default drawing editor on individual user level settings #632
- Use 'Search CAS' instead of 'CAS content' based on final feedback from CAS
- Ketcher Service on HTTPS
-
Fixes:
- An incomplete SVG file is generated after sanitizing the SVG
- chemspectra on Reaction and ResearchPlan analyses
- chemspectra display of XRD data
- DataCollector: deletion of folder
- Incorrect application root url in Jobs
- client handling of attachment hyperlinks
- misleading tooltip in the user list (Admin UI)
- proper version of chemspectra app
2022-09-26
-
Important for admin and developers:
- change of environment variable: use PUBLIC_URL instead of HOST and SMTP_HOST
- nodejs upd to 14.20.0
- drop support for bionic
-
Features and Improvements:
- ketcherservice: server generation of sample svg
- Reaction coefficient: improve yield calculation (#544)
- Metadata-converter: v0.6.0
- Chemspectra: v0.10.15 (allow reprocessing, read Bruker processed files if present)
- Inbox: delete multiple attachments at once (#571)
- research-plan: improve context-menu in tables
-
Fixes:
- SVG generation for sample and reaction: (#846)
- Sample amount metric
- report svg composer: skip image if image file does not exist.
- chemspectra: duplicate image generation
2022-07-07
-
Features and Improvements:
- Download of large dataset as background job to avoid timeout (#785)
-
Fixes:
2022-07-05
-
Features and Improvements:
- dataset selection in chemspectra viewer dataset selection in chemspectra viewer #715
- Screens:
- Research Plans may be added to Screens
- Associated Research Plans may be edited from Screens
- Research Plans:
- Wellplates may be added to Research Plans
- Wellplates:
- Add short label with user prefix and user's Wellplate count
- Wells have multiple readouts now
- Add title for readouts and display of multiple readouts in designer and list
- Add attachments
- Add import for well data from .xlsx and import template .xlsx
- Collection Tag for research-plan screen (#774)
- Chemspectra : Cyclic Voltametry (Warning: upd chem-spectra-app service to 0.10.14)
- ResearchPlan link to reactions and samples (#666)
- No reaction-svg when no material present (#691)
-
Fixes
- report: fix the label can't be assigned issue #661
- Reference Style improvement Reference Style improvement #695
- Adjust docker setup to work on mac
- prevent unecessary building of reaction svg on description text input (#759)
- elemental composition value with 2 decimals (#739)
- reference Manager issues (#708 #756 )
- Missing attachment preview in research plan (#751)
2022-05-10
- Fixes
- export dataset attachments with no hyperlink present
- analysis: preview latest processed image
- rails patch upd
- npx audit fix
2022-04-14
- Features and Improvements:
- fast input: sample creation
- users can create samples by entering the CAS Registry Number or SMILES
- SciFinder-n Search: integrate SciFinder-n into ELN and user can search in SciFinder for substances/reactions/references/suppliers by structure
- analytics converter integration
- OIDC signin
- fast input: sample creation
2022-04-14
- Fixes
- Ketcher icons missing (since 1.1.3)
2022-04-05
- Fixes
- npx-audit and Gem patches
- migration
- reaction prediction UI
2022-03-25
- Fixes
- upd chemspectra client: XRD d-value
- add product to reaction
2022-03-08
- Fixes
- uniq sample short-label while creating reaction
- customized toolbar refresh issue in quill editor
- rendering of the group list when deleting multiple groups
- permission to add elements to sync-collections
2022-01-18
-
NB:
- Admin: if applicable, chemspectra backend should be updated to version 0.10.13
- Developers: reactjs updated to 17
-
Features and Improvements:
- export sample: literature option for excel list #554
- report: Add literature section in standard sample report #554
- report: Add more information to standard reaction report #523
- attachments-inbox: filename matching with sample’s “name” or “external name”. #537
- attachments-inbox: case-insensitive matching #537
- attachments-inbox: added labels “product” or “start material” if applicable #537
- attachments-inbox: when the assignment is completed, send a notification to user’s message box #537
- attachments-inbox: filename matching to support files from ELA system.
- chemspectra: UV-vis layout extension (part of #531 )
- chemspectra: Add further functions to XRD layout #532
- wellplate designer: select info and colour to be displayed in well (#556, #558)
- wellplate designer: print wellplate as pdf (#555)
- name_abbreviation regexp validation is configurable
- swagger documentation: visibility of endpoints doc customizable
- rename tab 'literature' to 'references'. Please update the current profile_default.yml with the new one.
- Admin user management: add multiple users from file.
-
Fixes
- import collection failed due to some molecules cannot be created successfully cannot create molecule with given molfile
- filtering product samples of reactions when filter is on on sample list
- #584
- Notification channels: correct wrong data format
2021-10-21: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.3
- Fixes
- reseach-plan .docx export: convert SVG to PNG sample/reaction images
- collection import with sample missing molecule_name: use default value
- structure editors: added public/editors to ease set up
- node post-install fx to resolve node_modules path when located outside of app (docker)
2021-10-19: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.2
- Fixes
- DB migration: fix typo that could prevent updating from 0.9.1
- structure editor: chemdrawjs-20 support
- gate transfer: attachment checksum bckwrd compatibility
2021-10-11: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.1
-
Improvements
- LCSS display info only from ECHA source
- QuillEditor: added special characters menu for ResearchPlan
-
Fixes
- postinstall rewrite of some imports in citation.js to fix wbpk assets compilation
- Reaction SVG refresh after editing or adding samples
- Fix Cron Jobs for LCSS and Pubchem Info
- dev: fix reaction seeds
2021-09-22: https://github.com/ComPlat/chemotion_ELN/releases/tag/v1.0.0
-
Improvements
- Resize private note field and remove save button Private note rework #534
- Add hover over information to generic elements' symbols add hover over information to generic elements' symbols #524
- Structure editor configuration documentation
-
Fixes
- Adapt install_development.sh to Rails 5 environment adapt install_development.sh to Rails 5 environment #530
- Tab headers in navigation items are italic Tab headers in navigation items are italic #500
- Reaction svg shrinking or dedoubling
- Reaction svg size become smaller and the svg is overlapping
- Prevent hidden cell from being added to visible layout in tabslayout
- QC curation tab is not working
2021-08-26
-
Updates
- upd to rails from 4.2 to 5.2
- now using yarn instead of npm, and webpack instead of browserify
-
New features and improvements
- Private notes for samples
- Generic elements/segments/datasets
- Element details tab layout: segment tab to show if data present Element details tab layout: segment tab to show if data present #506
- In user view, enable the sorting of lines of a table generic elements, segments and analyses #480
- Add samples to generic element in table #461 Add samples to generic element in table #461
- Generic element/segment units (Joule) generic element/segment units (Joule) #457
- Administrator can export/import the generic template generic template upload and download #444
- Revision control, track changes of the template and user inputs generic revision feature #443
- Drag and drop sample/molecule to the table ELN Adminstration/generic elements: Create a table for drag and drop Sample/Molecule #437
- new units for generic sections new units for generic sections #436
- new units for generic sections new units for generic sections #434
- Add new field type: Upload in generic element/segment #400 Upload option in generic element/segment #400
- Send welcome email for new users Customized welcome email to new user #483
- Instance customizable home page as MD file Display customized welcome message at home page #470
- Decoupled sample
- Remove name in scheme for decoupled sample remove name in scheme for decoupled sample #465
- Add "undefined structure" as default value for decoupled samples Add "undefined structure" as default value for decoupled samples #463
- Provide table function in generic element/segment table function #414
- Revamp of analytics inbox
- Report template management
- Device metadata
-
Fixes
- rename chemotion.net to chemotion-repository.net in the Collection Bar rename chemotion.net to chemotion-repository.net in the Collection Bar #515
- input field on ipad Not all fields work normally with ipad #458
- The permission level "delete" in sharing collections doesn't work and the receiver can't delete The permission level "delete" in sharing collections doesn't work and the receiver can't delete #425
- truncated reaction svg
- upload of large files
- reload of reports
2021-06-04: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.9.1
- Fixes
- sync/share deletion permission
- Admin: segment deletion
2021-05-26: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.9.0
-
Features
- Decoupled sample: molfile-less sample creation
- Generic-element/segment (Beta): customizable data structure
-
Fixes
- serialization of sdf-imported molecules with improper file encoding
2021-04-28: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.8.0
-
Features
- option to decouple sample from molfile defined molecule - enable user custom MW input (Admin has to enable the feature)
- research-plan table: switch to using ag-grid - enable moving row/columns with d-n-d
- nmr_sim ELN plugin installed by default
-
Fixes
- Add configurable default profile for Element-Detail tab sortings
- slow opening of reaction panel: rm debounce
- green-chemistry: fix checkbox rerendering in table cell
- Analytics atom count scenari
- default favicon if none present
2021-03-26: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.7.1
-
Features
- sorting of tabs in Element-detail Panel (Sample, Reaction,...)
-
Fixes
- mimemagic gem updated due to previous version forced retirement
- research-plan table: cell focus input
- slow opening of reaction panel: rm debounce
2021-03-15: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.7.0
2019-12-16: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.6.0
- Features
- minor UX improvements
- admin UI for data-collector and noVNC connection
- improve report UI performance
2019-10-08
-
Features
- Analysis type according to Chemical Ontology (owl)
- export data from whole collections as zip (and import them)
- server notification system to users. E.g: user get notified when:
- the report generation is done
- it needs to refresh the browsers page to reload the cached application (update)
- Admin UI:
- NB: migrations will seed a default admin account => you need to change its password
email:
eln-admin@kit.edu
, pw:PleaseChangeYourPassword
- basic user management functions + direct notification to user
- DataCollector device configuration
- global notification to users
- NB: migrations will seed a default admin account => you need to change its password
email:
- Green Chemistry calculator for reaction
- RInChI integration
- new reporting functions
- sample/reaction large image preview from their element lists on hover
- clone samples/reactions to one's Chemotion Repository account (chemotion.net)
-
Upgrade Notes:
- must do: change the default password of the default admin account (vide supra)
- should do: reports are now stored as attachments run rake task
data:ver_20180812115719_add_colums_to_attachment
to ensure the retrievability of previously generated reports
yyyy-mm-dd
-
Features
- Element list: added time range filter / product filter
- enhanced data collector, new configuration (Breaking change)
- Export reactions as reaction smiles
- Extract RSMI from docx embedded cdx object
-
Fixes
- Report formating
- shared collection from deleted account
yyyy-mm-dd
-
Features
- upg Rails to 4.2.10 nvm to 6.10.2
-
Fixes
- Docker: node_modules as volume
- collection_tag update after element re-assignmnet to former collection
2017-11-15: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.3.0
-
Features
- Export reaction smiles
- reporting: revamp of UI
- reporting: analysis metadata formating
- user affiliations management
- revamp of sample/reaction detail UI
- select the sample molecule_name to display
- fetch CAS from pubchem
- uuid (qr code) for each element (sample, reaction, analyse)
- export samples as sdf
- adv search
- Docker install
-
Fixes
- search result element ordering
- dependent destroy of collections-elements
- sample density default set to 0
- react production build
2016-11-02
-
Features
- Temperature Chart with unit converter (°C, °F , K) for reaction
- Import molecules and create samples from a sd file (R group and polymer support are not supported)
- Images in report doc are from eps files
- rearrange the reaction list for a report by Drag-and-drop -ing
- Text editing and formating tool bar for the reaction description
-
Fixes
- upgrade to Ruby 2.3.1
- The Upload of analyses files does not fail if the thumbnail creation does
2016-10-17: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.2.0
-
Features
- sharing data with a group of users
- substructure search with fingerprint algorithm
- multiple solvents for reactions
- drag-and-drop of sample to reaction solvent
- user-defined chemical structure templates
- common chemical structure templates
- synchronized collections
- added full-screeen button to element view
- database and attachments backups
- better import feature
- advanced export options
- generate reports in .doc format
- different naming for reaction product
- add concentration to sample in solution
- updates in reporting system
- molecular weight calculation in real time Ketcherails v0.1.1
- molecular weight calculation for selected structure part in real time Ketcherails v0.1.1
- warning for user when editing parent/child sample: parent/child samples structures are not automatically updated
- reactants are not appearing in the samples list anymore
- added more details to sample analyses header
- style and user interface improvements
- zooming of reactions SVGs
-
Fixes
- user created samples counter is not decremented on deletion
- add material for reaction
- do not show non-saved collection in collection tree
- edit sample from reaction
- better scaling of sample and reaction SVG images
- multiple bug fixes
2016-05-31: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0
-
Features
- ELN for (organic) chemistry ton to element view
- database and attachments backups
- better import feature
- advanced export options
- generate reports in .doc format
- different naming for reaction product
- add concentration to sample in solution
- updates in reporting system
- molecular weight calculation in real time Ketcherails v0.1.1
- molecular weight calculation for selected structure part in real time Ketcherails v0.1.1
- warning for user when editing parent/child sample: parent/child samples structures are not automatically updated
- reactants are not appearing in the samples list anymore
- added more details to sample analyses header
- style and user interface improvements
- zooming of reactions SVGs
-
Fixes
- user created samples counter is not decremented on deletion
- add material for reaction
- do not show non-saved collection in collection tree
- edit sample from reaction
- better scaling of sample and reaction SVG images
- multiple bug fixes
2016-05-31: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0
- Features
- ELN for (organic) chemistry