- 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
- 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
- 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
- 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 [v0.2.0]: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.2.0
2016-05-31 -Features: ELN for (organic) chemistry
[v0.1.0]: https://github.com/ComPlat/chemotion_ELN/releases/tag/v0.1.0