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3.1.5.15 RTF Donor Command

Syntax
     DONOR [DELETE] [ iupac ] iupac [ iupac iupac ]
Function

The DONOR command specifies hydrogen bond donors. The only required operand is the heavy atom donor (such as an amide nitrogen). If a hydrogen is present, then it must be specified before the heavy atom donor. In the case of proteins, two antecedent atoms must also be specified. This antecedents are used by the hydrogen construction routine, HBUILD, to construct the hydrogens automatically.1

Note that if the first atom is outside of the current residue, CONGEN will assume it is a hydrogen. Also note that only one hydrogen donor can be specified at a time. This is different than the previous commands.

Hydrogen bond donors can be automatically constructed, but only within the current residue, and without the construction of antecedents. The DELETE option may be used to remove hydrogen bond donors introduced by either the automatic generation scheme, or by the COPY command.

Footnotes

[1] They can also be constructed by the internal coordinate commands, see Internal Coordinates, but HBUILD is more intelligent than the internal coordinate commands.