Dear all, I seem to have a display problem when I am trying to open cartesian (xyz) files: quite often the P-C bond is not drawn which means the molecule looks wrong. If I am using Molden to view the structure it is perfectly ok. Exporting the structure from Molden as a xyz file and opening that file in jmol causes this problem. However, if I am exporting it as a mol or mol2 file the same structure is ok apart from an odd looking pyridine ring (two double bonds or three). I usually save the coordinates as a cartesian file as most journals would like to have the coordinates of the final geometry as cartesians.
I am aware of the connect command so that would be a way out of it but I would have thought that the standart P-C bonds will be drawn automatically Is there something I do wrong or why does jmol has this problem? I am using Jmol-14.8.0 and one of the latests Oracle java on Debian Wheezy. Any suggestion? All the best from London Jörg -- ************************************************************* Dr. Jörg Saßmannshausen, MRSC University College London Department of Chemistry 20 Gordon Street London WC1H 0AJ email: j.sassmannshau...@ucl.ac.uk web: http://sassy.formativ.net Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html
signature.asc
Description: This is a digitally signed message part.
------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
