> On Fri, 02 Apr 2004 08:58:06 -0600, PHILLIP W BARAK wrote > > > > But I'm not certain what a *rendering program* is supposed to > _do_ > > with the bond lengths, let alone the uncertainty in the bond > > length... > > One good use for Jmol to parse the bond-length data (assuming it > is present) > is to define the connectivity for those "bonds" that may not be > automaticallyfound by the program.
I see your point (I'm thinking 'aloud' for Miguel's benefit too, since he posed the question): Connectivity could be established w/o considering the bond lengths themselves: [Ga1 O2 x.xx(x)] for example would fill the connectivity with bonds btwn any of the Ga1 and O2 positions, but x.xxA condition would limit those bonds to near atoms. The uncertainties in position and bond length(x) would have no particular representation or function in display, right? > I do a lot of manipulation of > CIFs and one of my scripts > determines chemical moieties using the bond dataitems according to the > connectivity I've established via the refinement program (SHELXL > primarily). > Rich > > > ------------------------------------------------------- > This SF.Net email is sponsored by: IBM Linux Tutorials > Free Linux tutorial presented by Daniel Robbins, President and CEO of > GenToo technologies. Learn everything from fundamentals to system > administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click > _______________________________________________ > Jmol-users mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-users > ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
