Timeline for Are physical space filling molecular modelling kits still available anywhere?
Current License: CC BY-SA 4.0
8 events
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| Jan 2, 2023 at 22:50 | comment | added | Buttonwood | @GeoffHutchison Given the publications around blender e.g., in JChemEduc (doi.org/10.1021/acs.jchemed.1c00515, or doi.org/10.1021/acs.jchemed.7b00549 to mention just two) I welcome if programs leave the "chemistry only" bubble. Despite all advances in computing, a physical model -- either by kit, or by 3D print -- still has its value. For molecules, as for molecular surfaces (example Hirshfeld surfaces, pubs.rsc.org/en/content/articlelanding/2009/ce/b818330a -- but no, CrystalExplorer no longer exports vrml). | |
| Jan 2, 2023 at 19:34 | comment | added | R.M. | As the Wikipedia page mentions, Koltun patented an extension of the modeling kits developed by Corey & Pauling -- not just the color scheme, the models themselves. While CPK today is best known as a color scheme, there were actual kits sold as "CPK models" (for example), and that was a common "genericized" name for the kits in the 70s and 80s. (And apparently Harvard Apparatus still sells "CPK" branded kits today.) | |
| Jan 2, 2023 at 17:56 | comment | added | Geoff Hutchison | Avogadro will also export VRML 2.0 with colors. I've used Shapeways to print the structures in full color. | |
| Jan 2, 2023 at 14:04 | comment | added | Buttonwood |
By the way, Jmol equally exports the scene with write example.wrl; (VRML 2.0) or write example.stl; a 3D print shop accepts as input format. CCDC's community edition of the Mercury has a similar export function (compared to Jmol, Mercury is more resource hungry for HDD and RAM): a brief how to, and some of the yearly contests (including polychrome models, too).
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| Jan 2, 2023 at 14:01 | comment | added | Buttonwood |
@matt_black Today, it depends a bit on the software, too. If you run Jmol, for example and use its terminal (File -> Console) load $glucose; followed by spacefill on; you get the van der Waals model. Yet select all; color rasmol; yields a lighter gray on the carbons than select all; color cpk; (the default color scheme), one may select individual atoms/atom types, etc too.
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| Jan 2, 2023 at 13:42 | comment | added | matt_black | Good clarification that CPK is a colour-scheme (though the kits were often casually called "CPK kits"). And a great link for a source that can create physical models: thank you. | |
| Jan 2, 2023 at 12:25 | history | edited | Buttonwood | CC BY-SA 4.0 |
addition of a 3D printed model
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| Jan 2, 2023 at 11:59 | history | answered | Buttonwood | CC BY-SA 4.0 |