pharmai / plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

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supplemental.py:90: RuntimeWarning: invalid value encountered in arccos

MXC66ai opened this issue · comments

A warning message appears when I run plip using python script with a protein-ligand complex PDB file. I tried to fix it by changing the codes of supplemental.py, but I failed because it depends on other files. What can I do to find out the problem and how to solve this issue?

The full text is as follows:
lib/python3.8/site-packages/plip/basic/supplemental.py:90: RuntimeWarning: invalid value encountered in arccos