Hi Vincent,
> is it possible to add alternate conformation to a residue range, not just one
> residue?
> I have a loop that has 2 main conformations and I would like to model both as
> alt res for a 20 residues stretch. What would be the best way to do this?
I had a similar scenario and thought it would be good to have a function for
this. You should find in python scripting the following.
HTH
B
# Duplication of a given residue range (in alt conf of course)
#
def duplicate_residue_range(imol, chain_id, res_no_start, res_no_end,
occ_split=0.5):
"""
This function duplicates the given residue range and makes two
alternative conformations of it. The occupancies are split 50:50 by
default.
Args:
imol: molecule number
chain_id: chain
res_no_start: start of residue range
res_no_end: end of residue range
Keyword Args:
occ_split: alt conformation occupancy for alt conf A (default 0.5)
"""
> Thank you
> Vincent
>
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>
>
> Vincent Chaptal, PhD
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***************************************************
Dr. Bernhard Lohkamp | Associate Professor/Lektor/Docent
Div. Molecular Structural Biology/Biomedicum D9
Dept. of Medical Biochemistry and Biophysics (MBB) |
Karolinska Institutet
SE-171 77 Stockholm
Sweden
+46 8 52487055
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