[phenixbb] Phenix Refine

[Thomas C. Terwilliger]

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
>>
>>