On 01/28/2015 06:58 PM, Robert Hanson wrote: > I think if you believe mMCIF is "horrible" then you should look again. You > can > basically put a standard PDB file straight into it with a simple header > that identifies > the fields. What could be easier than that? -- Same data used twice, though > you > do need a space character between alt-loc and insertion codes in mmCIF. > > Why is this "horrible"? Maybe there is so much information in the RCSB > files, but > Jmol doesn't need more than this: > I looked into the mmCIF format for the JenaLib (jenalib.fli-leibniz.de) in order to be able to cope with the large PDB entries that don't fit into the PDB format (too many chains, atoms, etc.) and where the corresponding split entires where removed in December from the PDB. To write a fully-fledged mmCIF parser would be a lot of work and PDBML dosen't really make much of a difference. By the way, I think that the PDB format is almost as horrible as the mmCIF format if you must be able to get almost any information out of it that could be stored in there.
Since my current project for Jmol goes into a completely different direction I had hoped I could escape from it by a format like CML. Regards, Rolf -- Rolf Huehne Postdoc Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI) Beutenbergstrasse 11 07745 Jena, Germany Phone: +49 3641 65 6205 Fax: +49 3641 65 6210 E-Mail: rhue...@fli-leibniz.de Website: http://www.fli-leibniz.de Scientific Director: Prof. Dr. K. Lenhard Rudolph Head of Administration: Dr. Daniele Barthel Chairman of Board of Trustees: Dennys Klein VAT No: DE 153 925 464 Register of Associations: No. 230296, Amtsgericht Jena Tax Number: 162/141/08228 ------------------------------------------------------------------------------ Dive into the World of Parallel Programming. The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
