So perhaps we need to brainstorm on what features related to display of small and large molecules we want to see added to Jmol. It is difficult to think of some. Jmol is so full of features now. Or maybe it is just my brain is too fuzzy from grading and this cold I've got.
So what are things you can't currently do now or wish were easier to do? I find it difficult to extract data, such as energies, out of files. Probably just my neophyte javascript skills. But I wonder if when the files are read in an array could be created containing such data so it could be easily retrieved. *********************************************** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 [email protected] *********************************************** On Dec 16, 2009, at 5:35 PM, rgb wrote: > It detracts from the time devoted to the development of Jmol more than > anything else. I don't disagree that some things might be of interest > down the road but given the limited development resources I think they > should be focused on the functionality related to the display of small > and large molecules and the user interface of that use. If others from > Sage or another environment want to build on Jmol's display capability > then that is great and could be encouraged. Jmol is pretty modular and > incorporating new functionality in some optional modules shouldn't > be a > problem. > > Rich > > Thomas Stout wrote: >> >> While the plotting functionality may not be directly >> molecular-centric, I don't see how it detracts from Jmol. If the >> program were to become "bloat-ware" then yes, of course, that's a >> problem. For the moment it seems to be constrained within the bounds >> of scientific functionalities that many of us will use and/or be >> interested in. I think having flexible 3D surface descriptors and >> routines may prove to be very useful in ways that may not be fully >> appreciated as yet -- I'd vote for keeping it all in one package for >> the time being! >> >> -Tom >> >> >> >> On Wed, Dec 16, 2009 at 12:22 PM, Robert Hanson <[email protected] >> <mailto:[email protected]>> wrote: >> >> Rich, >> >> Good point. >> >> Yes, yes. I was just thinking the same thought this morning >> myself. It's nice that the Sage community has caught on to how >> useful Jmol is for general surface display. If the Jmol >> community, though, feels that displaying data in graphical form is >> outside the bounds of the project, they should speak up, and a new >> SourceForge project could be started that starts with what we have >> in Jmol but pulls out all the molecular business and focuses on >> the mathematical. >> >> So far all the additions that have helped Sage have also been a >> benefit for general molecular surface drawing -- the ability to >> draw contours, better mesh drawing, consolidation in code of pmesh >> and isosurface. These are all modifications that have helped all. >> >> But I agree, the business with axes and tics and such is pretty >> far afield of the core Jmol mission. >> >> Bob >> >> >> >> On Wed, Dec 16, 2009 at 1:01 PM, <[email protected] >> <mailto:[email protected]>> wrote: >> >> As interesting as it is to plot stuff I really don't see the >> purpose of >> putting time and effort into making Jmol a generic 3D plotting >> program. >> Maybe if its abilities and interface were perfected for >> plotting molecules >> (large and small) then there might be some impetus to create >> Jplot (or >> something) to be able to plot any 3D surface with intelligent >> tic marks >> and axis selection etc. >> >> Rich >> > > > ------------------------------------------------------------------------------ > This SF.Net email is sponsored by the Verizon Developer Community > Take advantage of Verizon's best-in-class app development support > A streamlined, 14 day to market process makes app distribution fast > and easy > Join now and get one step closer to millions of Verizon customers > http://p.sf.net/sfu/verizon-dev2dev > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
