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Searched refs:CenterMol (Results 1 – 3 of 3) sorted by relevance

/dports/biology/babel/babel-1.6/
H A Dconvert.c128 CenterMol = FALSE; in init_babel_control()
167 CenterMol = TRUE; in process_command_line_args()
460 if (CenterMol) in do_outputs()
H A Dbblmacs.h161 #define CenterMol mol->control->center macro
/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dgrid.h368 virtual vector3 CenterMol(OBMol &) { return VZero; } in CenterMol() function