GunnerLab / Stable-MCCE

Stable version of MCCE.
MIT License
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HEC is currently treated as HEM, which results in SG ligant error #234

Closed newbooks closed 1 year ago

newbooks commented 1 year ago

HEC heme connects to two SGs from CYC, so it should has its own parameter file and specify such connectivity to avoid VDW clash.