[phenixbb] h_bonds restraints

[Maia Cherney]

Hi Pavel,

I have 2 important waters at 2.12 A distance after refinement. They are 
ligands of Mg2+. How can I restrain this distance to 2.3A (to pass pdb 
validation)? Is it in the ordered solvent that I need to change the default
    h_bond_min_mac = 1.8
    h_bond_min_sol = 1.8
    h_bond_max = 3.2

Maia

Pavel Afonine wrote:
> Hi,
>
> phenix.refine removes F-obs outliers for refinement. See .log file for 
> the number of such reflections. Also, it automatically removes Fobs=0.
> Do phenix.mtz.dump data.mtz to see the content of your MTZ file.
>
> Pavel.
>
>
> On 3/27/10 1:26 PM, r n wrote:
>>
>> Hi all
>> I observed that for the same data set and resolution, number of 
>> reflections for the refinement is different
>> values both in phenix (9488), refmac5 (9423) and refmac using coot 
>> interface (9530).
>>
>> Please anyone can let me know why the differences between the 
>> programs for same resolution and data.
>>
>> Thanks
>> ram
>>
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