Egon, I'm not a pdb expert, but was intrigued and it turns out hex numbers are in this spec :
https://www.schrodinger.com/AcrobatFile.php?type=supportdocs&type2=&ident=530 p.10: Options for the pdbconvert command. -hex Use hexadecimal encoding for atom numbers greater than 99999 and for residue numbers greater than 9999. Regards, Nina On 19 January 2013 14:03, Egon Willighagen <egon.willigha...@gmail.com> wrote: > Anyone knows? > > ---------- Forwarded message ---------- > From: Robert Hanson <hans...@stolaf.edu> > Date: Fri, Jan 18, 2013 at 11:26 PM > Subject: [Jmol-users] PDB - OK, who's the wise guy? > To: "jmol-us...@lists.sourceforge.net" <jmol-us...@lists.sourceforge.net> > > > Where does THIS come from? Hex code in a PDB file? Is that spec? > > ATOM 99998 H1 TIP3W3304 -28.543 60.673 40.064 1.00 0.00 WT5 H > ATOM 99999 H2 TIP3W3304 -27.773 60.376 41.353 1.00 0.00 WT5 H > ATOM 186a0 OH2 TIP3W3305 -24.713 61.533 47.372 1.00 0.00 WT5 O > ATOM 186a1 H1 TIP3W3305 -25.652 61.772 47.519 1.00 0.00 WT5 H > ATOM 186a2 H2 TIP3W3305 -24.713 61.625 46.379 1.00 0.00 WT5 H > > Bob > > -- > Robert M. Hanson > Larson-Anderson Professor of Chemistry > Chair, Chemistry Department > St. Olaf College > Northfield, MN > http://www.stolaf.edu/people/hansonr > > > If nature does not answer first what we want, > it is better to take what answer we get. > > -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 > > > ------------------------------------------------------------------------------ > Master HTML5, CSS3, ASP.NET, MVC, AJAX, Knockout.js, Web API and > much more. Get web development skills now with LearnDevNow - > 350+ hours of step-by-step video tutorials by Microsoft MVPs and experts. > SALE $99.99 this month only -- learn more at: > http://p.sf.net/sfu/learnmore_122812 > _______________________________________________ > Jmol-users mailing list > jmol-us...@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Department of Bioinformatics - BiGCaT > Maastricht University (http://www.bigcat.unimaas.nl/) > Homepage: http://egonw.github.com/ > LinkedIn: http://se.linkedin.com/in/egonw > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers > > ------------------------------------------------------------------------------ > Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, > MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current > with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft > MVPs and experts. SALE $99.99 this month only -- learn more at: > http://p.sf.net/sfu/learnmore_122912 > _______________________________________________ > Blueobelisk-discuss mailing list > Blueobelisk-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss ------------------------------------------------------------------------------ Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS, MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft MVPs and experts. SALE $99.99 this month only -- learn more at: http://p.sf.net/sfu/learnmore_122912 _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
