Elemental
Chemical drawing for the web, tablet and PC
Dotmatics Elemental is a chemical sketcher that enable scientists to draw, edit and save structures and reactions, and calculate properties.
What it does
- Sketch molecules, reactions and structure queries
- Calculate chemical properties
- Available as a fully-featured desktop application, iOS app or lightweight JavaScript plugin for sketching in-line in webpages
Benefits
- Accessible – the plug-in is web-based and browser-agnostic for easy deployment on-premise or in-the-cloud
- Integrated:
- Plugin and desktop versions work with all Dotmatics applications that require a sketcher to enter queries, structures or reactions including Dotmatics Browser, Studies Notebook, Registration and Dotmatics for Office
- iOS app can upload structures using Dotmatics SDMS to make them available in Studies Notebook
Key Features
All versions
- Sketch molecules, reactions and structure queries
- Standard editor functionality, including copy, paste, delete, undo, select and move
- Export options include molfile, rxnfile, SMILES and SMARTS formats
- Easy manipulation of structures such as move, rotate, flip, torsion and clean
- Automatically flags violations of allowed valences
- Incorporates keyboard short-cuts to expedite common operations
Dotmatics Elemental Draw (Desktop)
- Easily create structures with R groups
- Speed up drawing with predesigned or user-defined templates
- Save and retrieve SD files and molfiles
- Incorporate sketches in Microsoft Office documents
- Print to PDF
- Multiple tabs to work with multiple structures/reactions simultaneously
- East structure clean-up function
- Multiple redo/undo
- Annotate reactions or structures with free text
- Calculate properties of the molecules as they are drawn
Dotmatics Elemental Plugin
- JavaScript plugin designed to sketch chemical structures
- Enable chemical queries and browsing in web applications, such as ChemSpider(www.chemspider.com), Reaxys and Dotmatics applications
Dotmatics Elemental App (iOS)
- Save or email drawn structures and reactions
- Upload structures to Dotmatics SDMS
- Link to iTunes App Store
Dotmatics Elemental DB (iOS)
- Elemental DB is an iOS application that provides access to the structure database from ChEMBL and is searchable using structure-queries defined in the Elemental App
- Link to iTunes App Store