Bob wrote: >> So, what do people think about this ... >> >> We introduce a new scripting command called 'bondOrder'. >> >> bondOrder [ 1 | 2 | 3 | aromatic | hbond ] >> >> It applies to all pre-existing bonds within the current set of selected >> atoms ... just like 'wireframe' >> >> It respects the 'set bondmode [ and | or ] ' setting ... just like >> 'wireframe' >> > > a. Need the possibility of bond order of 4.
Hmmm ... that is a bit of a problem with the existing system. But it is a good heads-up and I will keep it in mind while I work on this stuff. > b. What are you thinking "aromatic" will mean? I thought that I meant 1.5 bonds in rings ... > c. If you mean "partial" for "aromatic," you might consider the > possibility of 0.5, 1.5, 2.5, 3.5, where these show with > one of the lines dotted. I didn't know that these other partial bonds existed. Q: Are they *really* important? Q: Is a 1/2 bond a generally accepted concept? ... we cannot go to arbitrary floating point values for bond order. >> Q: Is there a word other than 'bondOrder' that we should use? >> > > sounds right to me. Miguel ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
