Re: [Jmol-users] jcamp display applet
On Thursday 28 April 2005 23:01, Jennifer L. Muzyka wrote: > We've got a java applet which will display jcamp spectral data! The > project's home base is at sourceforge: > http://sourceforge.net/projects/jchemapplet/. It's a work in progress > and we'd love to have your feedback and suggestions about how to improve > it. You can see a demonstration of the applet from the project home > page (http://jchemapplet.sourceforge.net/). Are you using the official JCAMP-DX Java library [1]? Egon 1. http://sourceforge.net/projects/jcamp-dx/ -- [EMAIL PROTECTED] PhD student on Molecular Representation in Chemometrics Radboud University Nijmegen http://www.cac.science.ru.nl/people/egonw/ GPG: 1024D/D6336BA6 --- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r=20 ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
Re: [Jmol-users] RE: Jmol-users digest, Vol 1 #667 - 2 msgs
Jennifer, So did you figure out to include integration information in these? I'm hoping you are considering the reading of an independent integration file "intrng" in Bruker format. These are super simple. Just: P 0 1.200 1.456 2.400 3.000 ... The first line is to be ignored. The next lines are just start/stop in ppm Bob Jennifer L. Muzyka wrote: This is excellent, many thanks for starting this work. You might want to touch bases with Henry Rzepa (Imperial) who I think does read this list. He had a project a while back to do something similar. A quick question the data files have the extension .bak is this correct? I thought jcamp were .dx or .jdx? Chris Chris- The data files are indeed supposed to have the extension .jdx or .dx. The .bak is an artifact from when I modified the files and was using a different extension to keep track of which files had been altered and which were the originals. I need to change the extensions beck to the correct extension. I haven't talked from Henry Rzepa. That's a good suggestion. Thanks! -Jennifer --- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users -- Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr "Imagination is more important than knowledge." - Albert Einstein --- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r=20 ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
[Jmol-users] RE: Jmol-users digest, Vol 1 #667 - 2 msgs
>This is excellent, many thanks for starting this work. You might want to touch bases >with Henry Rzepa (Imperial) who I think does read this list. He had a project a while >back to do something similar. A quick question the data files have the extension .bak >is this correct? I thought jcamp were .dx or .jdx? >Chris Chris- The data files are indeed supposed to have the extension .jdx or .dx. The .bak is an artifact from when I modified the files and was using a different extension to keep track of which files had been altered and which were the originals. I need to change the extensions beck to the correct extension. I haven't talked from Henry Rzepa. That's a good suggestion. Thanks! -Jennifer --- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
