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Commit 01bf820c authored by Studer Gabriel's avatar Studer Gabriel
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bugfix

parent 37aab3a0
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modules/mol/alg/pymod/stereochemistry.py
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......@@ -280,7 +280,7 @@ def GetClashes(ent, vdw_radii = None, tolerance = 1.5, disulfid_dist = 2.03,
clash_ent = ent.Select("gaclash_check:0=1")
max_radius = max(vdw_radii.values())
max_radius = max(max_radius, disulfid_dist)
max_radius = max(max_radius, 0.5*disulfid_dist)
min_tolerance = min(tolerance, disulfid_tolerance)
radius = 2*max_radius-min_tolerance
......
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