[phenixbb] problem in cif file from Real-space refinement

Pavel Afonine pafonine at lbl.gov
Sat May 14 08:02:33 PDT 2022

Hello Liu,

I'm sorry for your troubles!

Reporting an issue or a bug requires sending us sufficient amount of 
information so that we can reproduce the issue/bug on our end. This 
typically includes sending us all relevant inputs (files, commands) and 
steps you did that lead to the problem. Just saying "program didn't 
work" isn't helpful to solve the actual issue.

So please send us necessary information off mailing list (to me 
directly, for example) and we will take care of the problem.

All the best!

On 5/14/22 07:42, princeadam at 163.com wrote:
> Dear all,
> I used the  "Get PDB validation report"to refine my protein-ligand 
> complex. The cif file got from  "Get PDB validation report"  was put 
> into "Prepare model for PDB depositon" and then I used "Get PDB 
> validation report" to see the validation report.
> It's a pity I got the following error message from "Get PDB validation 
> report": The PDB server reports a failure with you data. Please check 
> that your input files following the CIF specifications.
> However, if I use the cif file from phenix.refine with the same 
> procedure, I got the validation reports normally.
> Does anyone has similar problem?
> I am using Phenix 1.20.1-4487.
> Thanks a lot for the help.
> Best
> Liu
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