prepare pdbs for Rosetta

ryanmcgreevy / ModelMaker

ModelMaker plugin of VMD

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Closed trudack closed 7 years ago

trudack commented 7 years ago

Add the following replacements to prepare files coming from MD to Rosetta:

HISD -> HIS HISE -> HIS HIE -> HIS HID -> HIS HIS1 -> HIS HIS2 -> HIS CYH -> CYS LYP -> LYS

ryanmcgreevy commented 7 years ago

This should now be fixed in the new version of the mdff command. Please test and reopen issue if it is not resolved.