New in Version 3.2
New in version 3.2:
Accord Draw supported as chemistry editor
- Accord Draw is now supported as an editor for all chemical drawing operations.
'Go to' from experiment list overview
- It is now possible to directly jump to an experiment from the overview list by either double-clicking on its reaction or using the appropriate context menu command on the folder overview page.
- There are now keyboard shortcuts available for a broad variety of commonly used commands within the application. The User’s Manual provides you with a complete reference of all shortcuts. Likewise operations (new reactant / new template / new row …) use the same shortcut in order to minimize the users’ necessary learning efforts.
New main menu entry
- The main menu now contains a new entry called 'List' which contains all list operations that have been located beneath 'Experiment' in earlier versions. This change has been done for better organizing the menu.
Configurable default search function
- Every user is now able to specify the default search function in his personal settings. The default search is started when a user clicks on the search icon in the main window’s toolbar without explicitly indicating a search mode via the corresponding drop-down menu.
Reaction block height now part of a layout
- The height of the reaction block in the experiment display is now part of the display layouts which means that it is saved and loaded along with the current layout. The currently used height is applied if the default layout does not define a reaction block height.
Hint window for target molecules
- The experiment display now shows a hint window when you move your mouse cursor over the target field in the experiment header or over the corresponding symbol in the product list. The window contains the target molecule’s structure as well as all its names (synonyms).
Experiment revision changes can be copied and saved
- The dialog that displays the changes to an experiment between two versions now includes toolbar buttons for copying this information to the clipboard and for saving it into a text file. This feature requires the optional version administration module.
User list in the administration dialog can be sorted
- You can now sort the user list within the administration dialog by clicking on the corresponding cell in the list's header row. Another click on the header row inverts the sorting direction (ascending / descending).
Owners of public calculation templates are displayed
- The hint windows of the calculation template management dialogs now show the respective template's owner alongside with the description. They are displayed every time you move your mouse cursor over of the information symbols in the list.
Automatic calculation settings can be changed in the input sheet
- The input sheet (creating and modifying experiments in display mode) now contains functions for changing the current automatic calculation settings.
Import and export of tabular data from / to CSV files
- The tabular data included in the process description and the tabular description can be exported into a CSV file from this version on. This enables the user to further process data entered in ensochemLab in other applications like table spreadsheet software or custom enterprise solutions for example. The results can then be easily transferred back by re-importing the CSV file. The free choice of delimiter and separator within the import and export process enables the software to correctly process all possible CSV file derivates which highly increases the number of third-party applications that data can be exchanged with.
Exporting and importing experiment data
- It is now possible to export either reactant or product data into a CSV file. For this operation, the user first chooses the requested mode (reactants or products). Afterwards, the respective records are shown in a list grouped by their experiments and the user can select those he wants to export. An automatic selection of certain types (reagents, targets …) is possible. After a possible external modification, the user can re-import his CSV data into ensochemLab. The new data always replaces the experiments’ existing data. Importing and exporting data is both guided by a comfortable wizard. Before both features can be used, they have to be explicitly enabled by the administrator.
Additional data fields searchable
- The 'Query Builder' module and the report generator are now able to search the contents of additional reactant and product data fields. This includes the all data fields defined within the respective administration dialog. In the reporting module, the additional data fields are linked to their respective category (reactant or product) regarding the displayable data fields.
Toolbar on the experiment wizard's reaction page
- All features on the experiment wizard’s reaction page that used to be only available in the context menu can now also be found in a toolbar.
Reaction parameters: Proposal list for unit field
- The 'reaction parameters' page in the experiment wizard has been extended with a proposal list for the 'unit' field containing all measure units predefined by the administrators and all custom values that have already been used in the current experiment’s description.
Date defaults for tabular description
- On the 'tabular description' page within the experiment wizard, new data rows were always initialized with the current data. For simplifying the belated documentation of already past experiments, this is now only done for the first entry. For all other rows, the previous row's date value is copied.
Navigator animations can be disabled
- For slow systems and the use with Terminal Servers, all navigator animations can now be disabled in the user's personal settings.
Public display layouts can be enabled for standard users
- In former versions, public display layouts could only be created by administrators. From this version on, this feature can also be enabled for standard users.
- Display target molecule references
- The target molecule administration dialog now contains a function for displaying all experiments that contain a reference to a specific target molecule.
- Mark as 'inactive'
- Target molecules can now be marked as 'inactive'. This state means that they are still available in already existing experiments, but they cannot be used in new ones any more.
- Additional data
- The administrator can now enter additional data for the target molecules. This data is based on the freely configurable additional data field definitions. If such a value is marked as transferable and a user selects the target molecule for his experiment, he is asked whether he wants to copy the respective value into his corresponding product. This transfer is always optional. A dedicated function enables you to compare your product’s additional data to that of the target molecule in a tabular form.
Metal chemistry functions
- SSpecial metal chemistry functions can be requested optionally. These extensions contain the following added data fields:
- Is Metallic Structure
- Metal Content
- Is Metallic Structure
- Metal Content
- Metal Yield
Additional chemistry search modes
- Depending on the chemistry database system used, there are new search modes available when performing a chemistry search. The default database ensochemSearchEngine supports the 'exact fragment search''. With this mode, all fragments of a molecule in the database are exactly compared to the search structure. If at least one fragment matches, the respective record is a hit.
Additional binary file formats
- In addition to the already supported file types, you can now directly display MOL, RXN and PDF files in ensochemLab and print them out inside your experiment.
Optional reason for restoring old experiment revisions
- If the separately available revision module is activated, users can now optionally enter a reason when restoring old experiment revisions.
Additional data fields sorted
- The list of additional data fields is now sorted in both the experiment wizard and the administration module. For the display in the administration dialog, the user can change the sorting direction.