Yes, the bug is fixed when I run your Jmol.jar file. Thanks! Incidentally, I can't build the SVN code at the moment, nor can I pull it back to revision 4618 (I get a 'Delta source ended unexpectedly' error). I don't if this is to be expected, since I'm an SVN novice...
Thanks Dave On Mon, 20 Mar 2006 07:43:59 -0600, "Bob Hanson" <[EMAIL PROTECTED]> said: > I believe I just fixed this. Please check the prototype jar files at > > http://www.stolaf.edu/people/hansonr/jmol/test/json > > The problem was with negative dihedrals, specifically. I introduced that > bug when > I introduced > > (1) adding range to monitor/measure command: > > monitor <min_dist> <max_dist> ALL (atom set) (atom set).... > > This allows for better control over measurements. > > parameters are optional, but the ALL keyword is necessary if > the distances are omitted in order to designate that all > occurances within the atom sets are depicted. Examples: > > monitor 1.2 2.0 (carbon) (oxygen) > monitor ALL (atomno=1) (atomno=2) > > Note that unless otherwise specified, all matching > criteria in ALL frames are generated, thus allowing > for "animated" measures. > > > > > [EMAIL PROTECTED] wrote: > > >Hi, > > > >In the svn version, some (but not all) dihedral angles > >are returned as "null". > > > >For example in the Jmol-datafiles/aminoacids/ala.mol file > >you get in the measurement table. > > > >178.8 8H 1C 2C 10H > >null 9H 1C 2C 10H > > > >Similarly in the viewer display the 178.8 value is shown > >but no value a at is dsiplayed for the "null" entry. > > > >This bug seems to affect abour half the dihedral angles in > >the molecules I've tested. > >(I incorrectly reported it as fixed last week, but this > >because I just happened to try an OK molecule, sorry.) > > > >The problem is definitely there in revision 4618, > >I can't build from SVN this morning. > > > >Thanks > > > >Dave > > > > > > > > ------------------------------------------------------- > This SF.Net email is sponsored by xPML, a groundbreaking scripting > language > that extends applications into web and mobile media. Attend the live > webcast > and join the prime developer group breaking into this new coding > territory! > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 > _______________________________________________ > Jmol-developers mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-developers -- Dave Evans [EMAIL PROTECTED] http://www.davidaevans.org ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
