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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
>



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Matthew LH Chu PhD
School of Pharmacy and Pharmaceutical Sciences
University of Manchester
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