[Jmol-users] Jmol 13.0.1 connect_atoms error
Is this structure not longer valid? We have several scripts using it in the past and things were Ok. Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on previous versions of Jmol? On newer versions? Jaim data connect; connect_atoms 91 198040960.4 -2.501 hbond; 1705187240960.4 -2.974 hbond; 1722185340960.4 -2.543 hbond; end connect_atoms; -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] Jmol 13.0.1 connect_atoms error
what version did that work in? Should be: data connect_atoms 91 198040960.4 -2.501 hbond; 1705187240960.4 -2.974 hbond; 1722185340960.4 -2.543 hbond; end connect_atoms; This format is not documented; it was intended only for definition of the state. For reference, the columns are: 1 and 2 are the 0-based atom indices 3 is the coded bond type. 4 is the diameter of the connector 5 is the energy calculated for this bond (only relevant for hydrogen bonds) 6 is the human-readable meaning of the coded bond type (ignored) Bob On Mon, Sep 16, 2013 at 1:45 PM, Jaime Prilusky jaime.prilu...@weizmann.ac.il wrote: Is this structure not longer valid? We have several scripts using it in the past and things were Ok. Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on previous versions of Jmol? On newer versions? Jaim data connect; connect_atoms 91 198040960.4 -2.501 hbond; 1705187240960.4 -2.974 hbond; 1722185340960.4 -2.543 hbond; end connect_atoms; -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users -- Robert M. Hanson Larson-Anderson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] Jmol 13.0.1 connect_atoms error
Thank you for the correct format. Jaim On Sep 17, 2013, at 3:03 AM, Robert Hanson hans...@stolaf.edumailto:hans...@stolaf.edu wrote: what version did that work in? Should be: data connect_atoms 91 198040960.4 -2.501 hbond; 1705187240960.4 -2.974 hbond; 1722185340960.4 -2.543 hbond; end connect_atoms; This format is not documented; it was intended only for definition of the state. For reference, the columns are: 1 and 2 are the 0-based atom indices 3 is the coded bond type. 4 is the diameter of the connector 5 is the energy calculated for this bond (only relevant for hydrogen bonds) 6 is the human-readable meaning of the coded bond type (ignored) Bob On Mon, Sep 16, 2013 at 1:45 PM, Jaime Prilusky jaime.prilu...@weizmann.ac.ilmailto:jaime.prilu...@weizmann.ac.il wrote: Is this structure not longer valid? We have several scripts using it in the past and things were Ok. Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on previous versions of Jmol? On newer versions? Jaim data connect; connect_atoms 91 198040960.4 -2.501 hbond; 1705187240960.4 -2.974 hbond; 1722185340960.4 -2.543 hbond; end connect_atoms; -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk ___ Jmol-users mailing list Jmol-users@lists.sourceforge.netmailto:Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users -- Robert M. Hanson Larson-Anderson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users -- LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99! 1,500+ hours of tutorials including VisualStudio 2012, Windows 8, SharePoint 2013, SQL 2012, MVC 4, more. BEST VALUE: New Multi-Library Power Pack includes Mobile, Cloud, Java, and UX Design. Lowest price ever! Ends 9/20/13. http://pubads.g.doubleclick.net/gampad/clk?id=58041151iu=/4140/ostg.clktrk___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
