Dear Joseph, in the past I had a similar problem which I solved writing this minimal fortran77 code. I hope this can be of help. Whe you will untar the file you will get a subdirectory named "test". There you will find an input example on the rutile crystal. The program supercell, starting from the unit cell of the crystal (coordinates of the atoms within the basis + fundamental translation vectors) can expand it along the fundamental three directions for an integer number of times (N1, N2, N3). I think the code is quite self-explanatory. Cheers, Matteo Joseph Doolittle wrote: > I have some crystals that I want to expand without spending a lot of > time drawing each atom. > Is there any way to copy and paste existing stuff? > > > -- > Joseph Doolittle > >------------------------------------------------------------------------ > >_______________________________________________ >ghemical-devel mailing list >ghemical-devel at bioinformatics.org >http://bioinformatics.org/mailman/listinfo/ghemical-devel > > -------------- next part -------------- A non-text attachment was scrubbed... Name: supercell.tgz Type: application/x-compressed-tar Size: 13919 bytes Desc: not available Url : http://bioinformatics.org/pipermail/ghemical-devel/attachments/20070223/b116959c/supercell-0001.bin