Add configurable score threshold

[AttilaRoshani]

Summary

This PR introduces support for configuring the score threshold used by DockAligner.
Previously, the threshold value was hard-coded inside the class, limiting flexibility.
With this update, users can now pass a custom threshold value during class
initialization.

Changes

• Added threshold as an initialization parameter for DockAligner
• Updated internal logic to use the provided threshold instead of a hard-coded value
• Ensured backward compatibility by keeping the previous default

Motivation

This modification improves usability and allows developers to adjust the threshold
dynamically based on their use case, without modifying the library's source code.

Additional Notes

Let me know if you'd like the parameter name, default value, or documentation
updated further.