-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Tuesday 08 June 2004 11:31, Miguel wrote: > [complain] > > Jmol would have recognized the element type if the PDB had bothered to > follow their own file format specification of 1996 and had filled in > columns 77-78 with the element symbol. > > [/complain] > > If you feel that it is truly justified, I could try mapping ?C, ?N and ?O > to carbon, nitrogen, and oxygen. > > However, we will be unable to map AC because: > > AC = Ac = actinium > > Do you have any recommendations as to how we can address this problem?
The examplify the *very bad* situation with PDB files, I know someone who had a friend implement a PDB parser that parses the whole PDB database... And for several PDB entries, it has a special one-entry-only parser !!! Egon - -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFAxYmFd9R8I9Yza6YRAnL/AJ4nk55POdXU8A7m4EFChDg6WStEeQCeMoD8 Pe28Mvffq2xlmTWtplkG0Ew= =tuE+ -----END PGP SIGNATURE----- ------------------------------------------------------- This SF.Net email is sponsored by: GNOME Foundation Hackers Unite! GUADEC: The world's #1 Open Source Desktop Event. GNOME Users and Developers European Conference, 28-30th June in Norway http://2004/guadec.org _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
