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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