Naomi Fujita wrote: >Hi, > >I'm a Jmol newbie and was wondering if it is possible to pick/select >random atoms by clicking on them with the mouse. Furthermore I would like >to delete selected atoms (permanently in the input file), but I don't know >how. > > > As Angel stated, Jmol does not do this. HOWEVER, there is an option that comes close. This is
getproperty extractModel "atom expression" which returns a MOL file format for the selected set of atoms. (When introduced from the console, the information is easily clickable. Right clicking the applet and selecting Console -- open opens this console.) So, for example, say you want to delete a few atoms. You could: select (atomno < 10) getproperty extractModel "selected" Or, perhaps you have connected some atoms in a new way. Then the new bonding would be saved. Or say you have restricted the model to a certain subset of residues: restrict (1-5) getproperty extractModel "visible" does the trick. For now, the command just outputs a MOL file, so it has the restriction of <1000 atoms and loses any PDB-specific information. Recently I've been thinking that the application (not the applet) should probably have a WRITE command that would do something like this. Bob ------------------------------------------------------------------------- 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-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
