Comments on: Ugly Organometallics and the Challenge of Structure Depiction http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html Building Community for Chemists Tue, 14 May 2013 21:50:31 +0000 hourly 1 http://wordpress.org/?v=3.5 By: letters http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-195173 letters Mon, 07 Jun 2010 23:47:31 +0000 http://www.chemspider.com/blog/?p=986#comment-195173 Remember guys, “beauty is in the eye of the beholder” so in Africa, this might be considered pretty and beautiful. Some African women stretch their necks out like a giraffe and that is considered beautiful.

]]> By: jeberti http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-195144 jeberti Mon, 26 Apr 2010 17:17:24 +0000 http://www.chemspider.com/blog/?p=986#comment-195144 please remove the ” African woman” its offensive

]]> By: Antony Williams http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-195126 Antony Williams Wed, 24 Mar 2010 15:05:07 +0000 http://www.chemspider.com/blog/?p=986#comment-195126 I didn’t do anything but maybe its as simple as this blog gets a lot of traffic and since it references the image is moves to the top?

]]> By: Adam Ehad http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-195125 Adam Ehad Tue, 23 Mar 2010 20:02:29 +0000 http://www.chemspider.com/blog/?p=986#comment-195125 Ok. I typed “beauty” into google images and the above picture you used (of the African woman) came up as the first image. I thought it was a glitch, but tried again several months later (now) and it is still first. What is going on? What trick have you used to bring this up first?

]]> By: Andrew Dalke http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-133138 Andrew Dalke Sat, 14 Feb 2009 03:29:23 +0000 http://www.chemspider.com/blog/?p=986#comment-133138 Organic structures typically have 4 or fewer bonds and many are so-called “planar graphs”. That’s a graph that can be drawn in 2D without overlapping bonds. Doing layout of these isn’t easy, but it is a lot easier than doing inorganic structures with 5 bonds to a metal and more complicated 3D structure. These can’t easily be flattened to 2D.

Organic structures are not immune to these problems. Fullerenes are a simple example. Take a look at CID 21039425 from PubChem. It’s C53H50 so no inorganics there. But the depiction is very ugly. (Or look at CID 20675583: It’s a triangle (?!) with formula C42H54). By comparison, buckminsterfullerene has hand-assigned coordinates. See CID 123591. It looks very nice.

]]> By: Chris Singleton http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-131667 Chris Singleton Thu, 29 Jan 2009 04:15:15 +0000 http://www.chemspider.com/blog/?p=986#comment-131667 Can anyone point to a blog or site which details inorganic structure clean-up? I’m curious as to why the algorithms are available for organics but ones for inorganics aren’t as effective. Is is just a matter of scale, more demand for organic structure clean-up?

]]> By: Gary http://www.chemspider.com/blog/ugly-organometallics-and-the-challenge-of-structure-depiction.html/comment-page-1#comment-131515 Gary Tue, 27 Jan 2009 14:09:20 +0000 http://www.chemspider.com/blog/?p=986#comment-131515 The clean up algorithms, at least in my experience, have given rather variable results and don’t always yield a structure of “beauty.” When those algorithms fail, they seem to fail ugly. Generally, however, you can clean up a portion of a structure successfully.

]]>