Dear all,
Thank all of you for helping me. And my problem is solved.
Robert.
prodrg should work
Robert wrote:
>Dear all,
>How can I get a cif configure for a new ligand. Right now, I want to
>use the phenix to refine a complex structure. But I found that I cannot
>get the ligand cif file from the CCP4 search. The ligand is
>dibenzothiophene. So do you have any idea to hel
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Dear Robert,
this is what I just did:
1) went to en.wikipedia.org and entered your ligands name Dibenzothiophene
2) copied the SMILES string provided for many small molecules in Wikipedia
3) went to http://http://grade.globalphasing.org and paste the
CCP4BB@JISCMAIL.AC.UK] On Behalf Of
> Robert
> Sent: Friday, May 02, 2014 06:47
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] How to get a CIF configure for a designed ligand
>
> Dear all,
> How can I get a cif configure for a new ligand. Right now, I want
to use
>
Hello Robert,
since you are going to use Phenix tools for refinement (phenix.refine, to
be precise), then
1) why don't you use Phenix utilities
http://phenix-online.org/version_docs/1.9-1688/
to obtain a suitable ligand dictionary (CIF file) assuming that it is going
to be more compatible with th
Dear all,
How can I get a cif configure for a new ligand. Right now, I want to
use the phenix to refine a complex structure. But I found that I cannot get the
ligand cif file from the CCP4 search. The ligand is dibenzothiophene. So do you
have any idea to help me. Thanks very much for y
