13 May
2004
13 May
'04
11:27 a.m.
Hi Stefano, On Thu, May 13, 2004 at 12:30:37PM +0200, Stefano Ciurli wrote:
Hello,
just a thought: wouldn't it be nice to be able to read the feff.inp file directly into a simple molecular graphics program in order to see if the used coordinates contain any error? Maybe it is possible already and I am not aware of it. I understand that the program is mainly used by material scientists, but for us working with biological samples of metalloproteins it would be nice.
With tkatoms you can save your feff.inp in .pdb format and open it with
RasMol.
Mauro
--
Mauro Rovezzi