You could also use our very simple CLUSTERGEN program. It
reads CIF files and produces various input files. I did also implemented a new
feature that automatically find dimers in the crystal and produces XYZ files. I
will update the version on the web where is it available. Here is the link:
Sent to CCL by: "Bradley K Welch" [bwelch5]-[slu.edu]
Dear All,
I have a .cif of a molecule from the literature. I want to do a calculation
on
its dimer. The authors give the transformation to generate the neighboring
molecule (the .cif does not include the dimer). What software could I use to
help me generate the molecule? I have chemcraft and jmol but any other
program
suggested works would be fine as well.