All fine - again, many thanks. On Wednesday 01 Nov 2006 14:53, Bob Hanson wrote: > should be there. No? I see: > > C23/1 #25 -0.054799996 2.1514997 0.4773 > > That first part, before the /, is the atom name. > If it isn't there, it will be there next time you update. > > Bob > > Maria Brandl wrote: > >many thanks !! > >would it be possible to have the mol2-atom name > >also included in the > >strInfo argument of > > > >org.jmol.api.JmolStatusListener.notifyAtomPicked(int atomIndex, String > >strInfo) ? > > > > > >Cheers, > >Maria > > > >On Tuesday 31 Oct 2006 18:20, Bob Hanson wrote: > >>a one-line addition to the code enables: > >> > >>label %a #to display this name > >>select *.xxx # to select atom xxx > >> > >>will be in the next prerelease (10.9.89) > >> > >>Bob > >> > >>Maria Brandl wrote: > >>>Dear Jmol-developers, > >>> > >>>I have just checked out the latest Jmol this morning and > >>>tested the support of Tripos *mol2-files. > >>> > >>>It's all fine, the only thing I could not manage to access > >>>to was the atom name specified in column2 of the mol2-file. > >>> > >>>e.g:S1, O2, O4, O44 in > >>> > >>>@<TRIPOS>ATOM > >>> 1 S1 -0.0172 1.4168 0.0098 S.o2 > >>> 2 O2 0.0021 -0.0041 0.0020 O.2 > >>> 3 O3 1.1303 2.2549 0.0034 O.2 > >>> 4 O44 -0.8350 1.8259 -1.2068 O.3 > >>> > >>>It's not really a problem, I can get around it by having my > >>>own reference between order of atoms and atom name > >>>and use that in Jmol-scripting (with MDL-file like syntax), > >>>but just to make sure I am not overlooking anything - > >>>or that there is already some change in the way. > >>> > >>>Ideally, the atom name would be put into the same sort of field > >>>as PDB-atom names are. > >>> > >>>Thanks for your help, > >>> > >>>Maria > >>> > >>>------------------------------------------------------------------------ > >>>- Using Tomcat but need to do more? Need to support web services, > >>> security? Get stuff done quickly with pre-integrated technology to make > >>> your job easier Download IBM WebSphere Application Server v.1.0.1 based > >>> on Apache Geronimo > >>>http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > >>>_______________________________________________ > >>>Jmol-developers mailing list > >>>Jmol-developers@lists.sourceforge.net > >>>https://lists.sourceforge.net/lists/listinfo/jmol-developers > >> > >>------------------------------------------------------------------------- > >>Using Tomcat but need to do more? Need to support web services, security? > >>Get stuff done quickly with pre-integrated technology to make your job > >>easier Download IBM WebSphere Application Server v.1.0.1 based on Apache > >>Geronimo > >>http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > >>_______________________________________________ > >>Jmol-developers mailing list > >>Jmol-developers@lists.sourceforge.net > >>https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > >------------------------------------------------------------------------- > >Using Tomcat but need to do more? Need to support web services, security? > >Get stuff done quickly with pre-integrated technology to make your job > > easier Download IBM WebSphere Application Server v.1.0.1 based on Apache > > Geronimo > > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > > _______________________________________________ > >Jmol-developers mailing list > >Jmol-developers@lists.sourceforge.net > >https://lists.sourceforge.net/lists/listinfo/jmol-developers > > ------------------------------------------------------------------------- > Using Tomcat but need to do more? Need to support web services, security? > Get stuff done quickly with pre-integrated technology to make your job > easier Download IBM WebSphere Application Server v.1.0.1 based on Apache > Geronimo > http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers
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