Dear MODELLER users
I want to mutate a single residue in a model. I run the TOP file given
in the tutorial (with 1fas.pdb) successfully. There are two options
given: in one case the specified residue is mutated whenever it appears
in the structure. This runs fine. But in case of the second option,
(where a segment is specified) all the residues are mutated instead of
one.
Following is the part of the TOP file.( to change residue 14 to Cys)
# The second example is commented out; it selects residues '1' and '10'.
SET SELECTION_SEARCH = 'SEGMENT', SELECTION_FROM = 'ALL'
PICK_ATOMS SELECTION_SEGMENT = '14' '14', SELECTION_STATUS =
'INITIALIZE'
# Mutate the selected residues into HSD residues (neutral HIS):
MUTATE_MODEL RESIDUE_TYPE = 'CYS'
This works perfectly fine with 1fas.pdb but not with my model.
Can you point out where I am going wrong.
regards