Hi Diana,
At the risk of thread-jacking Ed’s question, yes, PHENIX handles this
seamlessly for us as well. However, REFMAC5 doesn’t like this scenario,
with or without alt. confs. or insertion codes. There are some models
where I’d really like to use REFMAC5 for refining these mixed species
model
The scenario I presented earlier works like a charm in refinement with the
Phenix program suite. For example, I have used it for both mixed populations of
ligands (e.g., AAMP and BADP) as well as phosphorylation (ASER and BSEP).
Diana
**
Diana R.
Herman,
thanks - however, it seems like I have poorly worded my question. I do
know how to generate alternate conformers, what the PDB ATOM record format
is etc. The point was that when I have alternate conformers that carry the
same residue ID but different residue types, Refmac exits with the
