MarvinSketch: on the way towards publication quality drawing

Posted on January 16th, 2015 at 1:59 pm by Eufrozina Hoffmann, János Fejérvári and Nikolett Mihala

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.

How to use this new tool?

Label editor has an icon (edit_label24) on the MarvinSketch toolbar. By clicking on the icon, you will switch on the label editor function. Select the label you want to edit, and a new toolbar will appear at the bottom of MarvinSketch, containing all the basic formatting options including; subscript, superscript, bold and italic so you can easily format your abbreviations according to the IUPAC recommendations. A wide range of symbols are also available from this toolbar to help make your labels more accurate.

The new tool has inherited the basic chemical intelligence of MarvinSketch, so, for example, if you change an atom label into an abbreviation, MarvinSketch will automatically recognize that it is an abbreviated group and modify the represented atoms and bonds. Another good example is the usage of the charge symbol. For instance, if you type Na+, MarvinSketch will know that it means the positive charge of the sodium and the label will include superscript for the ‘+’.

Please take a look at the video, try this feature or download the latest version and share your opinion with us here.

Skip to the section covering: Abbreviated groups, Alias atoms, Atom list/NOT list, Pseudo atoms and R-groups


2Responses to “MarvinSketch: on the way towards publication quality drawing”

  1. William Thompson says:

    Finally a good tool.

  2. aisswarya says:

    good tool for docking software

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