This notebook contains material from PyRosetta; content is available on Github.

Residue Parameter Files

Parameter files describing the chemical and structural properties of each residue is found in the PyRosetta package in the database/chemical/residue_type_sets directory. The full-atom residue parameters are stored in the /fa_standard/residue_types directory. As an example, the parameter file for threonine is shown below.

In [1]:
from IPython.display import Image
Image('./Media/res-param-1.png',width='700')
Out[1]:
In [2]:
from IPython.display import Image
Image('./Media/res-param-2.png',width='700')
Out[2]:

The centroid residue parameters can be found in the /centroid/residue_types directory. The centroid parameter file for Threonine is shown below.

In [3]:
from IPython.display import Image
Image('./Media/centroid-res-param.png',width='700')
Out[3]:
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