[phenixbb] Phenix Refine

[Thomas C. Terwilliger]

Hi again Haytham,
I meant...

grep 'BR'  my_pdb_file.pdb |grep PDB

-Tom


>> Hi Haytham,
>> This means that you have two atoms in your pdb file that both have the
>> name
>>
>> BR PDB F 1
>>
>> You can find these with:
>>
>> grep 'BR'  my_pdb_file.pdb |grep BR
>>
>> Let me know if that doesn't do it!
>>
>> All the best,
>> Tom T
>>
>>>> when i refine using phenix.refine i get this error
>>>>
>>>> number of groups of duplicate atom labels:1
>>>> total number of affected atoms: 2
>>>> group "HETATM 3466 BR PDB F 1 .*. BR " "HETATM 3467 BR PDB F 1 .*. BR "
>>>>
>>>> could you please tell me what is that
>>>>
>>>> Haytham Wahba
>>>> PhD stu
>>>> UdeM
>>>>
>>>>
>>
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