[buster-discuss] Covalent ligand in multiple conformations

Battaile, Kevin kbattaile at bnl.gov
Wed Aug 16 14:58:24 CEST 2023


What is the best way to deal with a covalent ligand with multiple conformations? If I use the aB_covalent_ligand tool to set up the linkages, it will find the 2 links in the PDB header, but just lets me do one. Should I do 2 runs of aB_covalent_ligand for each conformer or is there a better way to do this?

Thanks,

-Kevin
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