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jaimergp / prep-mcpb

Prepare a metal-containing structure for parameterization with MCPB.py using UCSF Chimera and AmberTools
MIT License
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MOF, cages, protein-less systems #1

Open jaimergp opened 5 years ago

jaimergp commented 5 years ago

Not every metal-containing structure is a protein! Consider cases where they are absent.

jaimergp commented 5 years ago

Last commits partially address this.