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Related Issues (20)
- Requirements: Create common molecule templates in toolbar HOT 2
- Requirements: Allow user to dump reaction as Rxn or single molecule as Mol file
- Create full test suite for smiles parser HOT 2
- Try code with server side javascript engine like Node.js
- user should be able to click toolbar button to insert template molecule or fragment
- user should be able to click toolbar button enter rectangle selection mode and select a molecule
- user should be able to drag to move a selected molecule
- user should be able to use mouse to rotate a selected molecule
- use should be able to click button from drop down list of bond types to add a bond to the drawing
- user should be able top click toolbar buttons to add arrow or plus to reaction drawing
- user should be able to click eraser button, then click on bond or atom to erase it
- user should be able to click toolbar button to add atom or edit atom already in drawing
- user can edit reagent text displayed above arrow and conditions text below arrow
- add fields to reaction json to persist reagent names and conditions
- when a user drags a molecule sufficiently close to another the two should merge
- user should be able to click a 'cleanup' button on the toolbar to cleanup molecule and reaction layout
- test rendering and editing performance with honkin' big molecule HOT 1
- allow selected atoms to be highlighted/colored
- implement sdf parser
- performance tracing with large molecules
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