Rigid Body refinement on only one residue crashes system:
Rigid Body:
click on 2 atoms to define a range of residue to rigid body refine:
(0) C2 /1/chainid="X"/576/BME, occ: 1 with B-factor: 33.35
element: C at (26.0654,53.8243,17.9573) : 0.0701071
(0) C2 /1/chainid="X"/576/BME, occ: 1 with B-factor: 33.35
element: C at (26.0654,53.8243,17.9573) : 0.0701071
imol_rigid_body_refine 0
residue_range_atom_index_1 2551
residue_range_atom_index_2 2551
Rigid Body Refinement imol: 0 residue 576 to 576 chain X
INFO:: setup minimol has spacegroup: C 1 2 1
terminate called after throwing an instance of 'std::bad_alloc'
what(): St9bad_alloc
Abort
[sapir:Monoclinic/Refinement/ccp4] saper%
_________________________________
Mark A. Saper, Ph.D.
Associate Professor, Biophysics and Department of Biological Chemistry
University of Michigan
3040 Chemistry Building
930 N University Ave
Ann Arbor MI 48109-1055
[log in to unmask] phone (734) 764-3353 fax (734) 764-3323
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