Module rotamers
A rotamer library which can be applied to protein sidechains.
A Rotamers object is initialized with an atom from a Structure object.
Exceptions will be generated if there is no rotamer information for the
residue correspoding to that atom or if the residue is incomplete. Once
the Rotamers object is created it's possible to iterate through the
rotamers, to apply any of them or to restore the original geometry.
Copyright Schrodinger LLC. All rights reserved.
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_Rotamer
A single instance of a rotamer - represents a set of CHI angle
values
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_RotamerIterator
Container for the rotamers which are associated with a particular
residue type
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Rotamers
Manages a rotamer library for a given residue type.
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_mmrotamer_initializer
- Value:
mminit.Initializer([mm.mmrotamer_initialize], [mm.mmrotamer_terminate]
)
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