Bob Hanson wrote: >Jmol users interested in using Jmol for more than viewing: > >I have added some new command-line options. > >What do you think of this? (Using the applicatoin from a Windows command >prompt) > > > <snip> >Create a list of measurements >----------------------------- > > Jmol -ionx measure.spt myfile.xyz > measure.txt > >where measure.spt is: > > measure allconnected (*) (*);show measurements > >generates a list of measurements. > >measure.txt now contains (tab-separated): > >Measurement Information >distance 1.1217928 0.112 nm H 1 #1 C 10 #10 >distance 1.4158994 0.142 nm N 2 #2 C 6 #6 >distance 1.3865448 0.139 nm N 2 #2 C 7 #7 >... > > > I tried this on SuSE 9.3 with Java 1.4.2_11 and it didn't work exactly as expected:
A little Jmol window opened and closed itself after a while. The output file afterwards contained the measurement list. Q: Did I misunderstand the '--nodisplay' option by expecting that no window would be opened? (Unfortunately it would reduce the usability if acces to an X-server would be required to run Jmol as a command-line tool.) Regards, Rolf ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
