Hello, I want to display a NaCl crystal. So I loaded a pdb file that contains lines like this :
HETATM 1 Na1 1 -2.820 -2.820 -2.820 1.00 0.00 NA1+ ... ... HETATM 33 Cl1 1 0.000 -2.820 -2.820 1.00 0.00 CL1- I expected to see the Na ions having about half the size of the Cl ions, but Jmol produced output where Na ions were greater than the Cl ions. They seemed to be Na and Cl atoms rather than ions. So I tried to give them the proper charge in the load script load nacl.pdb; select atomno<33; formalCharge=1; select atomno>32; formalCharge=-1; but nothing changed. Then I loaded some cif files, and I looked at the example page "fractional coordinates", and always saw atom-sized balls rather than ion-sized. My question : How can I produce Jmol output where the ions have ionic radii, not atomic radii ? I work with Jmol 11.2.14 and Windows XP. Thanks for any help. Michael ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
