BOND Command


BOND  atomnames
BOND outputs bond lengths for all bonds defined in the connectivity list which involve two atoms named on the same BOND instruction. Angles are output for all pairs of such bonds involving a common atom. Numerical parameters on a BOND instruction are ignored, but not treated as errors (for compatibility with SHELX-76). A BOND instruction with no parameters outputs bond lengths (and the corresponding angles) for ALL bonds in the connectivity table, and 'BOND $H' on its own includes all bonds to hydrogens as well (but - as usual - the hydrogens are not included in the connectivity table, so bonds involving symmetry equivalent hydrogens are not included). Other element names may also be referenced globally by preceding them with a '$' on a BOND instruction. BOND is set automatically by ACTA, and the bond lengths and angles are written to the .cif file.


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