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
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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participants (2)
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Pavel Afonine
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Wind Sui