PDB is fine, I don't know the format of cif files but if I did, or if you know a link where I can find it then that would be fine to.
On Sep 8 2006, Bob Hanson wrote: >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 > -- ___________________________ 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
