ANIS Command

ANIS Command


ANIS n
The next n isotropic non-hydrogen atoms are made anisotropic, generating appropriate special position constraints for the Uij if required. Intervening atoms which are already anisotropic are not counted. A negative n has the same effect.


ANIS names
The named atoms are made anisotropic (if not already), generating the appropriate constraints for special positions. Note that names may include '$' followed by a scattering factor name (see SFAC); 'ANIS $CL' would make all chlorine atoms anisotropic. Since ANIS, like other instructions, applies to the current residue unless otherwise specified, ANIS_* $S would be required to make the sulfur atoms in all residues anisotropic (for example). ANIS MUST precede the atoms to which it is to be applied. ANIS on its own, with neither a number nor names as parameters, makes all FOLLOWING non-hydrogen atoms (in all residues) anisotropic. The L.S. and CGLS instructions provide the option of delaying the conversion to anisotropic of all atoms specified by ANIS until a given number of least-squares cycles has been performed.


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