I wish to change all Zn metals in MOF-5 to for example "Cu", and also fitting in the right bond lengths without tampering with the MOF structure. How do I go about it please.
Open your file using vesta, then follow these steps
Edit ® Edit data ® structure parameter
You will get full xyz coordinate positions for each atom in the structure.
Sometimes you may not get the full structure coordinates. If it is so, first export the data to VASP (POSCAR,vasp) form, then open it again using VESTA. Then follow the above steps to get the full coordinates of the crystal structure.
After that you can change any element whatever you want.