Hi Oliver,
thanks for the report. This is fixed in revision 5206 (must have been
broken for years...).
B
On 18/08/2014 19:22, Oliver Clarke wrote:
Hi all,
The python version of mutate_and_auto_fit (used via the scripting interface)
does not seem to work, where the same input works when used with the scheme
version of the function. See attached screenshots showing the results of the
same command applied via either schem or python to mutate Q58, chain A of 1BL8
to an arginine, as a test case.
Scheme: https://www.dropbox.com/s/hs6w82x6s306j92/scheme.png
Python: https://www.dropbox.com/s/yezwb2tkz3ikbrt/python.png
I found this while writing a little extension to enable quick mutation of the
active residue (hotkey + entering the single letter code - see
https://www.dropbox.com/s/jzrjqvbk2oxj7jk/mutate_single_letter.py) - at the
moment it uses simple mutate but I would rather use mutate_and_auto_fit if a
refinement map is available.
Best,
Oliver.
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Dr. Bernhard Lohkamp
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Div. Molecular Structural Biology
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Karolinska Institutet
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Sweden
phone: (+46) 08-52487651
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