>> > But I'm not certain what a *rendering program* is supposed to _do_ with the bond lengths, >> 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.
I will plan on extending the CIF reader to use the _geom_bond_* data to determine connectivity. At this time the bond distance data will not be used. There has been a separate request to store arbitrary properties associated with a bond. At the present time that is not easy to do because there is currently no concept of bonds having properties and/or labels ... only atoms have properties/labels. If/when that gets implemented then we can consider storing the bond distance + bond error as a bond property. Q: What are other properties that may be of interest when looking at a bond? Q: What does esd stand for? Miguel ------------------------------------------------------- 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
