Re: [COOT] How does COOT determine protonation states

2024-02-21 Thread Kim, Sun Kyung
Hi Paul, Thank you for your response! I opened Coot from my terminal, and not seeing any diagnostic information, but it just opens up coot. When you mention I could try setting COOT_MONOMER_LIB_DIR or REFMAC_MONOMER_LIB_DIR to the directory that containers the monomers… I’m not sure as to wha

Re: [COOT] How does COOT determine protonation states

2024-02-21 Thread Paul Emsley
On 21/02/2024 02:50, Kim, Sun Kyung wrote: Thank you Paul for that information. I will look into Acedrg and Grade2! Sounds good. I have an unrelated question… I’ve never encountered this before, but all of a sudden my COOT is complaining that it doesn’t have restraints for refinement… (sc