Posts tegged as 'chemical editor'

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.

Marvin JS 6.3 - reactions - pre-release teaser

From version 6.3 Marvin JS supports reactions. You can draw single or multistep reactions as well using single and/or resonance arrow, reaction operator (+ sign) and atom map.

Read the more »

Structure visualization - Which are your favourite visualization styles?

Nov 19, 2012Eufrozina Hoffmann

With the upcoming launch of Marvin for JavaScript we wanted to find out what you expect to see when working with a chemical editor.

These seven images, from different chemical editors, represent the structure 2-Chloro-1-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)-2-phenylpropan-1-one.

We would like to know which style version you like and why. Please take the survey below (“Start” button) to tell us the which-es, the why’s and why not’s!

Marvin for JavaScript visualization types

(Image credits: Ödön Farkas, Group of ChemoInformatics & Molecular Modeling at Eötvös Loránd University.)

Survey about Marvin for JavaScript

Survey about Marvin for JavaScript

Which are your favourite visualization styles?