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I want to create list of simple and useful software to draw molecules 2d and 3d with small description. Not necessary only freeware software. Also web-based services are interesting.

Your help in improving this list is greatly appreciated. I will continue this list and add more information with some pictures. If you know some usefull and easy software, please, write about it!

  1. Web-based freeware site chemicalize.org Free. Cross-platform. It does not require installation of java or flash, as output/input can be drawn by hand, SMILES srting, IUPAC name, some molecular geometry file formats.
    screenshot scrrenshot

  2. Web based freeware site chemspider.com Free. Cross-platform. It searches by IUPAC name, SMILES, can be drawn by hand, but there is HUGE limitation - it searches only existing molecules, but shows some useful information about compound.
    screenshot screenshot

  3. http://molview.org/ web-based

  4. VMD - freeware open-source program from University of Illinois Free. Cross-platform. This program mostly for visualization, but has some building features. Can be run under any OS. Opens a lot of different formats. GUI is not very friendly for the beginners. Used mostly for visualization large molecules (proteins, membranes), molecular dynamics simulations (especially from NAMD).
    enter image description here enter image description here enter image description here

  5. Mercury - Crystal Structure Visualisation, from The Cambridge Crystallographic Data Centre (CCDC) Free. Cross-platform. New freeware version has some limitations - not possible to calculate distance to the plane (now it is feature for paid version). It can open/save a lot of chemical structure format files, all OS are supported.

  6. Chemcraft Free trial. +Academic discount. Windows/Linux (works fine under wine). Basically is non-free version (there is quite long trial period and there is old free versions through internet without any restrictions). Is one of the simplest and easiest 3d drawing programs. There are versions for Windows/Linux and under Linux/Mac OS it is possible to run under wine.

  7. BIOVIA Draw (old name Accelrys Draw - successor of ISIS draw) Free for Academic and Non-commercial Use. Windows. Only windows (can't say yet about working under wine). Mostly 2d drawing software, can wok with a lot of different formats, also supports 3d visualization.

  8. Avogadro Free. Cross-platform. Molecular builder/editor. Drawing is not the best, but has built-in optimisation tool. Opens/saves a lot of formats, useful for preparing inputs for quantum-chemical calculations. Fast and simple.

  9. Openbabel Free. Cross-platform. Read, write and convert over 110 chemical file formats. Free cross-platform format converter.

  10. Marvin Suitefrom ChemAxon Free. Cross-platform. Very good 2d/3d drawing software supports a lot of formats. Easy and useful.

  11. ISIS/Draw Free. Windows. Very old drawing software. Support most common formats. Incompatible with some new drawing formats. Possible to download in the internet.

  12. ChemDoodle Non-free. Cross-platform. Has a lot of features bult-in. 2/3d drawing. Has applets for phones.

I am asking about software you are using - I haven't tried all possible software.

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    $\begingroup$ chemistry.stackexchange.com/questions/28997/… $\endgroup$
    – Mithoron
    Commented Feb 22, 2016 at 16:34
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    $\begingroup$ I think this is much too broad a question. Not only are there dozens of such programs, but there are multiple websites with such listings, e.g. here and Wikipedia, among others. $\endgroup$ Commented Feb 22, 2016 at 21:07
  • $\begingroup$ @Mithoron Yes, Avogadro also was on my list. $\endgroup$
    – XuMuK
    Commented Feb 22, 2016 at 22:40
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    $\begingroup$ My understanding is that such shopping questions are beyond the intended scope of this forum. $\endgroup$
    – Greg
    Commented Feb 23, 2016 at 3:58
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    $\begingroup$ I've been involved in the development of Speciolab - a drawing app for 2d chemical structures. It is tailored for students and researchers needing a simple tool to draw structures or reactions - and export to a report or paper. Available for Mac and Windows. It is currently in beta. Try it for free at specio.com $\endgroup$ Commented Sep 27, 2021 at 16:54

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