KaKaoTalk:po03 op |u:downloads.ccdc.cam.ac.uk, cambridge~sp-cam-meta

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Working with crystals — CSD Python API 3.1.0 documentation

https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/crystal.html

28 Mar 2024: It is easy to make a table by symmetry operator:. >>> print('n'.join('%-17s %s' % (op, utilities.print_set(crystal.atoms_on_special_positions(op))) for op in crystal.symmetry_operators))
ccdc.crystal — CSD Python API 3.1.0 documentation

https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/crystal.html

28 Mar 2024: atom_symmetry_relation( self._view.crystal_structure(), base, at._atom ) if op: return op.to_string() return '' return [_f(a) for a in self.atoms]. ... crystal_structure(), base, at._atom ) if op: return op.to_string() return '' return [_f(a) for a in
ccdc.search — CSD Python API 3.1.0 documentation

https://downloads.ccdc.cam.ac.uk/documentation/API/_modules/ccdc/search.html

28 Mar 2024: int, float)): crit = SubstructureSearchLib.InclusiveRange(min(a, r[1]), max(a, r[1])) else: raise TypeError('Invalid type for condition %s' % r) elif isinstance(a, str): op = a.strip() if op == '==': ... crit = SubstructureSearchLib.EqualTo(r[1]) elif op

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