[buster-discuss] cif file for a chromophore

[Nicolas Foos]

Dear Buster users, 

I am struggling in the refinement process of a fluorescent protein. This protein is rsEGFP2. pdb code : 5O8A for example. 
In my cases, the chromophore (aka PIA). Has a slightly unexpected conformation. The problem is I can't refine it properly using buster. 
I generate a cif file using several method (phenix elbow, using ccp4 and using your servers) no matter the way. Some of these cif files can be use by buster, but I face two problems, depending of the file, the PIA suffers from sever distortion, or reversely is not refined at all. 
To be honnest I try other refinement program (phenix refine or refmac) and both looks to interpret the cif file in a different way. It means that the PIA conformation looks from "fully exploded" to not pure theoretical geometry. 

If somebody could help me with this cif file generation, I will be more than happy. 

All the best, 

Nicolas 
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