Hi Madhavi, try the prodrg server: http://davapc1.bioch.dundee.ac.uk/prodrg/index.html 2009/6/26 Nalam, Madhavi <[log in to unmask]> > Hello: > I am using CCP4 version 6.1.1 now. > > I refine protein-small molecule complexes (the small molecules are new > and hence I have to input the cif file). > In the previous versions of CCP4, refmac used to fail and generate a cif > file in the first run when I introduce the inhibitor into the pdb file. > Now, in the new version, refmac doesn't run at all and asks me to input > the cif file. > > I tried Sketcher but the problem is Sketcher is opening a proline > molecule although I am trying to open my inhibitor molecule as a pdb > file (again this problem is not there before) > > In my experience the cif files generated by refmac and sketcher are > slightly different, at least for the molecules I am working with, and > the ones generated by refmac are correct. > > Although there are other programs that generate cif files, I would like > to generate them using refmac if possible. > > Any help would be greatly appreciated. > Thanks, > Madhavi > -- ---------------------------------------------------------------------------- Matthew LH Chu PhD School of Pharmacy and Pharmaceutical Sciences University of Manchester ----------------------------------------------------------------------------