Re: [COOT] Multiple sequences within one structure?

2023-11-29 Thread Paul Emsley
On 29/11/2023 10:58, Subscribe COOT Marie M üller wrote: CAUTION: This email originated from outside of the LMB. Do not click links or open attachments unless you recognize the sender and know the content is safe. .-owner-c...@jiscmail.ac.uk-. Dear all, I am wondering if it is somehow

Re: [COOT] Multiple sequences within one structure?

2023-11-29 Thread Georg Mlynek
Dear Marie,  look at crambin (pdbcode 1EJG). In the past (might have changed) this crashed Coot when loading the structure until you add*   allow_duplicate_sequence_numbers() to $HOME/.coot.py in OSX or the appropriate place on Windows. For Windows, as there is no $HOME, Coot uses .coot.py

[COOT] Multiple sequences within one structure?

2023-11-29 Thread Subscribe COOT Marie Müller
Dear all, I am wondering if it is somehow possible to model two different amino acids in the same position. We are working on a dataset from a mixed sample and we think we obtained crystals that contain two sequences (they are very similar, 95% identity). There are a few positions in which the