> As an inorganic chemist using pdb, I always regarded 'ca' in > chime/rasmol as a reserved word for use as in the series ca, cb, cg (for > describing amino acids) rather the series mg, ca, sr, ba (elements, > etc.), and this wasn't bothersome or worrisome as long as I could > specify 'select calcium' or 'select *.calcium' and get by. (In fact, it > makes the script just a bit more readable.) Since you are the inorganic chemist ... if it the behavior doesn't matter much to you then there is a good chance it is not going to matter to anybody else :-)
> On the other hand, I do have occasion to work with iron atoms of > different oxidation states within the same mineral, for example Fe2+ and > Fe3+ in magnetite, and I'd like to be able to easily specify, color, and > size them differently in the visualization. How do these different states get stored in the .pdb file? Do the 4 characters in the file actually say "FE2+" ? Miguel > > --Phil Barak > > > > ------------------------------------------------------- > This SF.net email is sponsored by: SF.net Giveback Program. > Does SourceForge.net help you be more productive? Does it > help you create better code? SHARE THE LOVE, and help us help > YOU! Click Here: http://sourceforge.net/donate/ > _______________________________________________ > Jmol-users mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-users -------------------------------------------------- Miguel Howard [EMAIL PROTECTED] c/Pe�a Primera 11-13 esc dcha 6B 37002 Salamanca Espa�a Spain -------------------------------------------------- telefono casa 923 27 10 82 movil 650 52 54 58 -------------------------------------------------- To call from the US dial 9:00 am Pacific US = home 011 34 923 27 10 82 12:00 noon Eastern US = cell 011 34 650 52 54 58 6:00 pm Spain -------------------------------------------------- ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
