Hi, I am trying to read a pdb structure which has an atom as being at 0, 0, 0 but when I read in the file the atom does not appear to load, and when I use the crystal builder and input the cell parameters, still the atom/atoms appear. The real structure that I am looking for has an atom at ecah corner of the cube. I was therefore wondering if my understanding of things is a bit unclear, or if this is omething wrong with jmol. As it stands if I work out the formula of the compound from the unit cell I am missing 1 atom as there should be atoms at each of the corners of the cell. Any hints/tips or pointers would be gratefully received.
Thanks Mark BTW I would like to echo the omment sent to the list the other day in that the crystal building option of jmol really is a very useful and excellent inclusion. -- Mark T. Storr Research Fellow School of Chemistry University of Reading PO Box 224 Whiteknights Reading Berkshire RG6 6AD Tel: +44 (0)118 9875123 Ext. 7415 E-mail: [EMAIL PROTECTED] ------------------------------------------------------- This SF.net email is sponsored by: Etnus, makers of TotalView, The best thread debugger on the planet. Designed with thread debugging features you've never dreamed of, try TotalView 6 free at www.etnus.com. _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
