cgexplore.molecular.VaBeneGenerator¶

class cgexplore.molecular.VaBeneGenerator(present_beads, num_beads, seed, binder_beads, placer_beads, scale)[source]¶

Bases: object

Generate custom Precursor based on vabene algorithm.

Methods

get_precursors

Attributes

`present_beads`
`num_beads`
`seed`
`binder_beads`
`placer_beads`
`scale`

Parameters:

present_beads (Sequence[CgBead])
num_beads (int)
seed (int)
binder_beads (Sequence[CgBead])
placer_beads (Sequence[CgBead])
scale (float)

get_precursors(num_precursors)[source]¶

Parameters:: num_precursors (int)
Return type:: Iterable[VaBene]

binder_beads: Sequence[CgBead]¶

num_beads: int¶

placer_beads: Sequence[CgBead]¶

present_beads: Sequence[CgBead]¶

scale: float¶

seed: int¶