Mutate_replace

mutate_replace [molecule] [residue name, new residue type](i)

Any number of residues can be mutated until a blank line is entered. All atom properties of the specified molecule are changed in size to accommodate the new sequence. Certain properties are assigned special values, others are given default values.

_atom_z

is changed to reflect the element number Z of the new atom

_atom_b

new atoms have a temperature factor of 20.0

_atom_name

new atom names are taken from the contents of the file specified in the last Connect_file command.

_atom_wt

new atoms have weights of 1.0

_atom_colour

all atoms in a mutated residue are coloured magenta

The default values for all other properties are 0, 0.0 and ` ' for integer, real and character properties, respectively.

The new residue type must exist as an entry in the contents of the file specified in the last Connect_file command. Because molecular objects are described in the database as link lists, their pointers are to the old positions in the molecule. All objects of the changed molecule must be re-made by the user. Mutated residues will appear coloured magenta. Side chain confirmations are from the most frequent side chain rotamer. The database must therefore be correctly defined with Lego_setup.