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ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
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Address the remaining design comments in EnzyRCD PR 1 #129

Open shaoqx opened 9 months ago

shaoqx commented 9 months ago

128

shaoqx commented 9 months ago

@chrisjurich Feel free to add more details to this

shaoqx commented 9 months ago

You also have 2 get_charge in pymol_interface. Please fix that

shaoqx commented 9 months ago

Also it will be great if you can fix this (it should be system.ABC instead of ABC)

>>> config["system.ABC"]
[19:33 EnzyHTP __getitem__] ERROR The Config object has not attribute ABC. Exiting...