ACD/SpecManager Enterprise
What's New
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ACD/SpecDB version 6.0 has changed as compared to the previous version and now includes some new enhanced features and options.
Common Options
New database management options:
- Lay out the Database Window according to your preference, and save a customized layout setting.
- Chemical structures in user database records can now include Markush bonds, polymers, fragments abbreviations, isotopic, valency, radical charges, and 3D coordinates information.
New search options:
- Search the database for similar structures to the one you have drawn with one of five different algorithms: Tanimoto, Dice, Cosine, Hamming distance, and Euclidean distance.
- Search with more precision for stereoisomeric structures with the addition of new stereo search options.
- Structure and substructure search queries now can include Markush bonds, polymers, fragments abbreviations, isotopic, valency and radical charges information.
Additional mode to display database records:
View your databases in new display mode-Table view. New mode allows you to:
- Sort table data by any column;
- Create reports in Table form;
- View mini spectra in Table mode cell;
- Export data to SDfile and textual files compatible with MS Excel; and
- Navigate with ease between record entries.
Specific SpecDB FLAT Options
New database management options: Apply an electronic signature to a database record with document integrity safeguards.
New search options: Easier selection of multiple databases for search through check boxes.
Plate coloration: Color plate wells according to the Match Factor, RMS of Assignment, Structure Purity, or any other user defined parameters.
Specific SpecDB SQL Options
New database management options: Additional user roles for changing data are supplemented. Now the rights can be granted for adding or editing certain types of data.
New search options:
- Now SpecDB SQL allows you to perform UVIR and 2D NMR spectra search.
- Optionally the search through the user notes is added (Oracle 8.1.5 or later and Oracle InterMedia Text are required)
- Can be updated with experimental and predicted 2D NMR spectra.
- Now a single database record linked to a single structure can contain many spectra of the same technique.
- Version 5.0 will allow a chromatogram to be added as a multi-structure record to a single integrated (spectral and chromatographic) database. Both ChromManager SQL and SpecManager Enterprise must be present in the same directory.
- In previous versions, the results of a database search had to be looked through one "hit" at a time. In order to view the set of structures, they had to be transferred from the Database window to the ChemSketch window. Now, with version 5.0, you can view multiple "hits" at once within the Database window. The displayed data fields, the font, and the zoom level can be chosen after right-clicking to access the pop-up menu.
This version of SpecManager Enterprise uses the native Oracle 32-bit drivers.
Since there is no need to install BDE or ODBC components now, the installation procedure and support of the corporate databases on the basis of SpecManager Enterprise is much easier.
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