What I am interested in (which I currently use a bit of fortran to do) is taking a set of coordinates(absolute or fractional) and unit cell vectors and repeating them periodically. It would just be handy in jmol when making images or examining a structure to either click on a button or type in the command line to display a periodic repeat of the structure. The symmetry consideration is not so important for me as I work with asymmetric molecules adsorbed on asymmetric surfaces. (Although in the future that need not be the case).
Glenn On Sep 8 2006, Bob Hanson wrote: >Q1: Is there interest in Jmol reading unit cell/symmetry information from > PDB files and working with that? (Or is CIF sufficient?) > >Q2: Is there interest in being able to take any Cartesian data set, >indicating a > unit cell and space group, and then being able to apply symmetry to >that? > >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 > -- ___________________________ 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
