Talk:Protein Data Bank (file format)

mmCIF?

Anyone? --Dan|^(talk) 13:44, 7 March 2008 (UTC)

XScreensaver "Molecule" - PDB download links are suboptimal

The xscreensaver "molecule" is capable of displaying nice 3D animated molecules from PDB files. This should be worth mentioning in this article. Even nicer would be a download link to "good" PDB files: I guess, some people read this article in hope of finding good links, but the provided links are not optimal for "molecule";

I have been looking for PDB files to plug into my screen saver, which is basically capable of reading PDB files. That screen saver seems to be not fully compatible with the format (http://www.wwpdb.org/documentation/format32/sect1.html). I let it display a file like http://www.rcsb.org/pdb/files/ligand/CL1_model.pdb, but the files on that server dont have names nor descriptions and the second column does show some additional letters, not only the normal atom letter, thus the formula displayed looks like Caa6Hab12Oab6 instead of C6H12O6.

I will continue my web search, and if I find an appropriate download page, I will put the link in here. I also want to create a "molecule"-specific download page, which could be linked here, so if it is legal and you have data for that page, please contact me: userpage: http://de.wikipedia.org/wiki/Benutzer:Leael93 —Preceding unsigned comment added by 85.127.192.73 (talk) 21:45, 4 March 2009 (UTC)

Listing the actual format?

Is it possible to list the actual format on this page? -- wpliao 129.78.64.105 (talk) 03:24, 31 March 2009 (UTC)

What are the coordinates measured in?

the first three floating point numbers are its x, y and z coordinates.

Angstroms? --124.183.163.199 (talk) 06:15, 19 April 2009 (UTC)

Yes. All coordinates in PDB files (and, indeed, all X-ray and NMR structures) are measured in Angstroms. --Thorwald (talk) 12:47, 19 April 2009 (UTC)

Do you have a citation for that? I couldn't find one, and IMHO it should be added to the article. 124.186.82.84 (talk) 12:58, 24 April 2009 (UTC) forgot to sign

Yes. You can read all about it here. --Thorwald (talk) 21:29, 24 April 2009 (UTC)