[phenixbb] a command on Phenix refine

[Pavel Afonine]

Hello,

this error means your input PDB file contains atoms that nearly 
perfectly overlap. It is best if you inspect the PDB file and resolve 
the issues.

Answering your question:

In phenix.refine GUI :

Refinement settings -> All parameters -> Search parameters

paste nonbonded_distance_threshold and hit Enter. In popped window 
replace default 0.5 with an empty line and save.

Alternatively, you can save one line

refinement.pdb_interpretation.clash_guard.nonbonded_distance_threshold=None

into a file and give this file to phenix.refine along with all other 
file (PDB, reflections, etc).

Pavel

On 1/1/15 7:22 PM, Wind Sui wrote:
> Dear All,
>
> I use the graphic phenix.refine to do a refinement, and Phenix 
> informed me I need to have a command 
> "refinement.pdb_interpretation.clash_guard.nonbonded_distance_threshold=None". 
> Will you please tell me by graphic phenic.refine, how can I input this 
> command?
>
> Wind
>
>
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