Posts tegged as 'R-group'

MarvinSketch: on the way towards publication quality drawing

A new tool, the label editor has been introduced recently in MarvinSketch version 14.11.10.

This allows MarvinSketch users to edit and format labels easily. It effects the labels of atoms, abbreviated groups, R-groups, atom lists/not lists and also the introduction of an alias or a pseudo atom.

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More smart tools in Marvin JS

We do our best to create tools which are useful and help make your work faster and easier. One area we see much potential is in user interaction and simplifying tasks toward being intuitive. In the Marvin JS team we realized that sometimes the easiest ways are not the most trivial and complex problems can require complex solutions.

But what is the best way to illustrate or achieve tool behavior with actual chemists? Documentation, tutorials, consultancy? One solution we are exploring is an option to insert some “live hints” or guides into Marvin JS which appear as you draw chemistry. See below for 5 different examples of the guides in action but we are asking for your opinion here – does it feel natural, is it confusing, is there a better way? Does the hint reflect your idea about the physical behavior of the tool?

multicoordinatebond Drawing coordinate bonds

coordinate

straightarrow Reaction & mapping

reaction

freehanddrawingFreehand drawing

freehand

eflowSingleArrowSelecting electron flow arrow arrow types

eflow

smartrgroup R-group handling

rtool

You can try these features in Marvin JS:

Tell us your opinion of this potential solve, is it relevant, does it work, how does it not work. Please take a minute to tell us if this is a good way forward by posting a comment.

Smart R-group tool in Marvin JS

Jul 10, 2014János Papdeák
Based on your feedback, we have created a brand new tool in Marvin JS to define R-Groups more efficiently. Instead of the “old” behaviour (selecting the context and pressing R + [SPACE]), this new solution requires a mouse or a finger only. Check this video tutorial, follow the steps, and please, share your thoughts with us.