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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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The topology error of structures #110

Open shaoqx opened 1 year ago

shaoqx commented 1 year ago

In rare cases, for the old mutator, the mutation will generate structure with the "topology error", that is, for example, a ring from TYR circles around the side chain of TYR: wrong_mutation

shaoqx commented 1 year ago

A checker should be created to detect this problem.