Frequency-restrained structure-factor refinement. II. Comparison of methods
نویسندگان
چکیده
منابع مشابه
A Restrained - Parameter Thermal - Factor Refinement Procedure
Retention of known geometry, with regard to mean atomic positions, has proved useful in the refinement of macromolecules. In structures with a paucity of diffraction data and large displacements of the atoms from their mean positions, it is also of value to restrain the thermal factors to be consistent with known stereochemistry. This paper presents a technique for accomplishing this by restrai...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 1991
ISSN: 0108-7673
DOI: 10.1107/s0108767390013526