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
