On 16/05/2025 16:24, Gabby Budziszewski wrote:
Hello!
I have a structure with a water molecule I would like to model as 2 50% occupied
conformers. I have done this in the past using the "Add alternate conformers"
tool. However, with my two most recent structures, when I try to do this, the new
conformer is labeled as an atom in a residue, rather than as a new conformer of the
water. I am on MacOS Sequoia 15.3.2 running coot through phenix and ccp4i2 SBGrid
environments. The version I am running is 0.9.8.95. I have also tried to open the files
in Wincoot (0.9.8.1) and encountered the same error, so I think it may be some strange
issue with my files.
Hmm. It sounds like a bug, but I think it's the wrong function to use
anyway.
I think you should be using split_residue(imol, chain_id, res_no,
ins_code). (Surprisingly) I don't see a place in the menu for it in Coot
1 (which means that I should add it). If I wanted to add a number of
such splits, I'd use a key-binding.
Paul.
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