On 26/07/2024 16:44, Fernández-Leiro.Rafael wrote:
--
Dear all,
I am having trouble running prosmart on the mac version (1.1.10 and
previous version).
Running any option from the “restraints” menu gives an error:
/###/
/in generate_self_restraint_func() 6 A 3.7/
/----------- extra restraints ---------/
/ 0/
/9915/
/DEBUG:: --- new_startup_on_glarea_resize() 1929 1087/
//
/Traceback (most recent call last):/
/ File
"/usr/local/Cellar/python@3.12/3.12.4/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/coot/gui_prosmart.py",
line 140, in <lambda>/
/lambda _simple_action, _arg: generate_all_molecule_self_restraints(6.0))/
/^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^/
/ File
"/usr/local/Cellar/python@3.12/3.12.4/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/coot/gui_prosmart.py",
line 81, in generate_all_molecule_self_restraints/
/generate_self_restraints(aa_imol, val)/
/^^^^^^^^^^^^^^^^^^^^^^^^/
/NameError: name 'generate_self_restraints' is not defined/
/####/
Oh that's annoying.
Change line 89 of gui_prosmart.py to read
coot.generate_self_restraints(aa_imol, val)
(i.e. add a "coot." to the front of the line)
Using Prosmart shows a pop-up window that says “No prosmart”
It needs to be in your path. Coot does not bundle ProSMART.
Should Prosmart be installed separately?
Yes - typically as part of CCP4. At least for the moment.
(I used the brew install approach, which btw works fantastic)
Yes, it does:
("brew install brewsci/bio/coot" for the record).
Well done Yoshitaka Moriwaki.
Paul.
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