THGLab / MCSCE

Monte Carlo Side Chain Entropy package for generating side chain packing for fixed protein backbone
MIT License
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IDPConfGen API Error #30

Closed menoliu closed 11 months ago

menoliu commented 11 months ago

When running MC-SCE through IDPConformerGenerator's build function. I am met with this error: TypeError: generate_residue_template_topology() got an unexpected keyword argument 'add_OXT'

Here is my input command: idpconfgen build -db ./idpconfgen_database_2023.json -seq drksh3.fasta -nc 10 -n 10 -o ./out -scm mcsce

I suspect it's to do with the implementation of PTMs. Running MC-SCE independently has no issues however.

I have attached the build error here: build_-4569050954931506880_1695662218095496670.log