I'll need some specific file examples, please. Angel Herráez wrote:
>According to a previous report of mine (which went into doc. in the Wiki) >http://www.mail-archive.com/[EMAIL PROTECTED]/msg09232.html >in MOL format files, bond type 8 (described as "any") used to be interpreted >by Jmol as >partial bond. Now I see it is not so; bond is not drawn. > >I'd like to know if this is intended, or I was wrong, or it is a bug in recent >versions. >11.5.46 and 11.4.5 do not draw any bonds for type 8 >11.3.11 draws them as partially double, or no bond, depending on the atom or >its >neighbors?. > >I understand that since MDL doc does not assign "partial" meaning to type 8, >if may be more >sensible for Jmol not to interpret as so. However, no bond at all where a bond >is specified is >not a faithful solution either. > >While I am at it, I also see that type 4 (aromatic) is rendered as partially >double by 11.3.11 >but as alternating single and double bonds by 11.4.5. I guess that's a >conscious >consequence of the recent "aromatic" and "calculate aromatic" commands, right? >I'd rather prefer that the aromatic-specified bonds are drawn as partially >double, but I won't >push for it. Just want to mention is case it is an inadvertent change. > >Well, there's even more. Here's a summary across versions: > >bond type 4 >11.3.11: aromatic (partially double) >11.4.5: alernating single and double bonds >11.5.46dev (8 july 08): aromatic (partially double) > >bond type 8 >11.3.11: partially double !! >11.4.5: no bond >11.5.46dev (8 july 08): no bond in some cases, double in others!! > >I also note that in 11.5.46, some single bonds are drawn as double > > > > >------------------------------------------------------------------------- >Sponsored by: SourceForge.net Community Choice Awards: VOTE NOW! >Studies have shown that voting for your favorite open source project, >along with a healthy diet, reduces your potential for chronic lameness >and boredom. Vote Now at http://www.sourceforge.net/community/cca08 >_______________________________________________ >Jmol-developers mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-developers > > -- Robert M. Hanson 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 ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
