Just a bit more for 11.1.8 --- select connected() allows specification of bond type:
for example: select connected(double) select connected(double,oxygen) select oxygen and connected(1,single,carbon) select connected(2,hbond) select connected(2,aromatic) select connected(0,double,(carbon or nitrogen)) ------------------------------------------------------------------------- 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 [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
