README section 2.2 references missing MSMS mesh scripts (step1_convert_npz_to_xyzrn.py / step2_compute_msms.py / step3_refine_mesh.py)

[laviaf]

Hi, thank you for releasing NucleusDiff and for the clear documentation, it’s been very helpful.

While following the instructions in README Section 2.2, I noticed that several scripts referenced for MSMS mesh generation do not seem to be present in the repository: step1_convert_npz_to_xyzrn.py, step2_compute_msms.py, step3_refine_mesh.py.

I may have missed them, but I couldn’t find these files in the current codebase or branches. Could you please let me know whether these scripts are available elsewhere or if there is an updated workflow or alternative implementation that replaces these steps?

Thanks again for sharing your work, and any clarification would be greatly appreciated!

[yanliang3612]

Hi @laviaf ,
Thank you for reminding me. I will add these scripts recently.