From: Robert H. <ha...@st...> - 2011-06-11 03:47:29
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set loglevel 6 minimize steps 0 x = script("show minimization") set debug off I'll get that in the documentation. On Fri, Jun 10, 2011 at 3:45 PM, jenheta da silva <je...@gm...> wrote: > Hi, > > I am new to Jmol so please bear with me. > > After loading a xyz structure (caffeine, just to learn the basics), I would > like to print some specific data after a minimization procedure. It seems > that Jmol can output angle bending, bond stretching, torsions, etc. from UFF > depending upon a flag (option ?) called iType as found in > > org.jmol.minimize.forcefield ( > http://java2s.com/Open-Source/Java-Document/Science/jmol-12.0/org/jmol/minimize/forcefield/CalculationsUFF.java.htm > ) > at the end, where getDebugHeader is defined. > > I ingenuously tried "set debug" at the console in hope of getting this > information but no luck. > > If someone can shed some light, it will be deeply appreciated. > > Thank you, > > Jen. > > > > > ------------------------------------------------------------------------------ > EditLive Enterprise is the world's most technically advanced content > authoring tool. Experience the power of Track Changes, Inline Image > Editing and ensure content is compliant with Accessibility Checking. > http://p.sf.net/sfu/ephox-dev2dev > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 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 |