<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="RIGHT: auto"><SPAN style="RIGHT: auto">Dear All,</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">I just did a water picking using the following parameter file. However the MolProbity analysis demonstarted that the clash of some added water with the protein atom can be as high as 0.9 A.</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">Will you please tell me how to modify the following parameter file so that all the water with clash higher than 0.4 A will be not selected?</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">In addition, do you think "primary_map_cutoff = 3.0" is practical? I think in somw situation this value can be as low as lower than 1.0.</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">I am looking forward to getting a reply from you.</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">Cheers,</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">Dialing</SPAN></div>
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<div style="RIGHT: auto"><SPAN style="RIGHT: auto">refinement {<BR> ordered_solvent {<BR> low_resolution = 3.0<BR> b_iso_min = 1.0<BR> b_iso_max = 50.0<BR> b_iso = 25.0<BR> primary_map_type = mFobs-DFmodel<BR> primary_map_cutoff = 3.0<BR> secondary_map_and_map_cc_filter<BR> {<BR> cc_map_2_type = 2mFobs-DFmodel<BR> }<BR> }<BR> peak_search {<BR> map_next_to_model {<BR> min_model_peak_dist = 1.8<BR> max_model_peak_dist = 6.0<BR> min_peak_peak_dist = 1.8<BR> }<BR style="RIGHT: auto"> }<BR>}</SPAN></div>
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