dock-postprocess v0.1.0

Initial public release of dock-postprocess.

Highlights:

• Standardized docking-workspace initialization with dock-init
• Native generalized OpenMM minimization
• Multichain receptor and ternary-complex support
• Configurable residue variants and metal restraints
• Post-minimization pose QC and optional focus-residue analysis
• Contact enrichment and interaction-landscape analysis
• Ligand conformational strain analysis
• Integrated master design table
• Stable L#### ligand identifiers and generalized results layout

The v0.1.0 workflow was regression-tested against the original validated p53/BRD4 workflow, including exact agreement in starting OpenMM potential energy for the minimizer validation case.

Some downstream analyses still use validated internal compatibility engines behind the generalized public interface.