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
