Jmol currently only supports periodicity in the context of a unit cell. In order to replicate, you need:
1) a file format that supports defining the unit cell (CIF, RES) 2) to define all atom positions in fractional coordinates 3) to define the unit cell parameters 4) to provide a space group name (Maybe just P 1) HOWEVER, I'm thinking about doing something like this with PDB files, where the crystallographic information may be there even though the coordinates are nonfractional. We could look into providing this information "on the fly" for any file type. Bob G. Jones wrote: >Hi, > >I have calculated structures in the form of xyz files, and would like to >repeat them periodically, I if have found a menu in jmol which allows you >to draw a unit cell but can't find where to specify the dimension of the >unit cell or the repeat periodicty in the x y or z direction . > >Is there a command to specify unit cell cell sizes for a structure or >alternatively is it possible to specify the unit cell size within an xyz >file? > >thanks very much, > >Glenn > >___________________________ > >Glenn Jones >___________________________ > >Surface Science Group >Department of Chemistry >Lensfield Road >University of Cambridge >UK >CB2 1EW > >01223 336508 >___________________________ > > >------------------------------------------------------------------------- >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 > > ------------------------------------------------------------------------- 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
