[phenixbb] phenix.elbow and compound refinement

YS. Chung chungys at univmail.cis.mcmaster.ca
Tue Feb 16 15:01:52 PST 2010

Dear all,

I am having some difficulties in refining my compound within my structure. I was able to create the compound and the cif file using PRODRG and was able to fit it in coot perfectly fine. However, as pointed out by many users of phenix.refine, the cif file from PRODRG does not work well with phenix.refine. I have created a cif file using phenix.elbow and the refinement itself works fine. However, when I try to use the cif file from phenix elbow in coot, it pulls apart my compound and it's extremely difficult to work with. This still happens when I create the cif file using the --final_geometry option. Is there a way around this or is there something I can do? Any help will be much appreciated. 

Thank you,
Yu Seon Chung

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