Robert Hanson wrote: > > > > On Mon, Dec 10, 2012 at 5:59 PM, LMH <lmh_users-gro...@molconn.com > <mailto:lmh_users-gro...@molconn.com>> wrote: > > Hello everyone, > > I am looking to display some chemical structures in a browser and am > wondering if jmol is a good option. I have data that will be queried > from a sqlite database that I want to display in a browser. This will be > sortable, spreadsheet like data in rows with one row per compound. I > would like to add a structure picture to the display. I know that jmol > is set up for 3D renderings, but I wouldn't need that. > > So I have a few questions, > > is there a 2D display mode? > > > 2D in what way? As a drawing (with lettering like O=C--H)? Or as an > image (of balls and sticks)? Both are available, although there are > better ways to do the drawing. > > > is the jmol code amenable to displaying hundreds of structures? > could sorting of the rows be supported? > > > It's not a good way to put hundreds of structures on a single page. I > would argue that that's a bad way to show a page anyway. > > my structures generally live as individual mol files, so there would be > a path for each file. > > > That's what we need. Are they 2D or 3D mol files? > > > Thanks for the info. > > LMHmedchem > > > ------------------------------------------------------------------------------ > LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial > Remotely access PCs and mobile devices and provide instant support > Improve your efficiency, and focus on delivering more value-add services > Discover what IT Professionals Know. Rescue delivers > http://p.sf.net/sfu/logmein_12329d2d > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > <mailto:Jmol-users@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > -- > Robert M. Hanson > Larson-Anderson Professor of Chemistry > Chair, Chemistry Department > 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 > > > > > ------------------------------------------------------------------------------ > LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial > Remotely access PCs and mobile devices and provide instant support > Improve your efficiency, and focus on delivering more value-add services > Discover what IT Professionals Know. Rescue delivers > http://p.sf.net/sfu/logmein_12329d2d > > > > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users >
Hello Robert, thank you for the reply. Sorry for the delay, I wasn't feeling so well last night. I need lettering to see the elemental content and such. I can send a spreadsheet embedded with .jpg files of what I more or less have in mind if you want. I can do .xls, .xlsx, or the open office version, just let me know. What I mean by hundreds of structures is that I have "classes" of structures that I pull from a database. Within each class are compounds I have measured (M), compounds I have in stock awaiting measurement (S), compounds that have been ordered (O), and compounds that are available to be ordered (A). I need a good way to visualize all of the compounds in a class based on a sorting scheme. This lest me look at what is available in terms of what I already have. I generally would only need to "see" 4-10 or some compounds on the screen at a time and just scroll up and down. The largest classes I have at the moment run ~2000 compounds, but most are <100. I would not by trying to look at 100+ compounds at the same time. My molfiles are 2D. Do you know if we are supposed to top post or bottom post in this group? LMHmedchem ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
