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This PR resolves an AttributeError that occurs when running the example script design_macrocyclic_binder.sh using the SelfConditioning or ScaffoldedSampler samplers.
After PR #348, the code attempted to pass sampler.idx_pdb to the writepdb function, but certain sampler classes (such as SelfConditioning and ScaffoldedSampler) do not always define the idx_pdb attribute. This resulted in a runtime error.

With this change, idx_pdb is only passed to writepdb if the sampler object actually has the attribute.

…since ScaffoldedSampler.sample_init() doesn't set idx_pdb.
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