re recent message -- can you make do with PDB files? Or, changing XYZ files to CIF files would be quite easy, although I don't know of anyone who is doing this. All you do is add a short header and a little trailer line. You could just add the appropriate symmetry information as "boilerplate" and go from there.
Bob G. Jones wrote: >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 >> >> >> > > > ------------------------------------------------------------------------- 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
