Feature Requests item #871696, was opened at 2004-01-06 15:47 Message generated for change (Comment added) made by migueljmol You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=871696&group_id=23629
Category: New IO Format Group: None Status: Open Priority: 5 Submitted By: Egon Willighagen (egonw) Assigned to: Nobody/Anonymous (nobody) Summary: A Z-matrix Guassian input file Reader Initial Comment: See CDK RFE #871694. ---------------------------------------------------------------------- >Comment By: Miguel (migueljmol) Date: 2004-09-29 16:57 Message: Logged In: YES user_id=1050060 OK, I have a basic understanding of internal coordinates. But I thought that you started off with a couple of real points (and perhaps an artificial point) and went from there. I do not understand anything about the Z-matrix representation. ---------------------------------------------------------------------- Comment By: Nobody/Anonymous (nobody) Date: 2004-09-28 15:31 Message: Logged In: NO z-matrix means internal coordinate used by the mopac or the gamess etc. ------ C O 1 1.2000 H 1 1.1000 2 120.0000 C 1 1.5000 2 120.0000 3 180 H 4 1.1000 1 110.0000 2 0 H 4 1.1000 1 109.9999 2 -120.0000 H 4 1.1000 1 109.9999 2 120 ------ ---------------------------------------------------------------------- Comment By: Miguel (migueljmol) Date: 2004-05-26 10:21 Message: Logged In: YES user_id=1050060 Egon, Is this done? I am not sure what you mean by 'Z-matrix' Miguel ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=871696&group_id=23629 ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
