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 sequence differs and the electron density supports both sequence variants. I would like to model both and then see if this improves the refinement or if one of them will be kicked out again.
I was hoping I could approach this similarly to how we model alternative conformations. So I edited the residue into conformation A with an occupancy of 0.5 and merged the other residue into the same structure (in conf B, occ 0.5). However the residue will be renumbered automatically and added to the end of the chain, if I try to renumber the residue to sit in the same position coot will tell me: WARNING::could not renumber residue range. Maybe your selection overlaps with existing residues. Please revise your selection. Are you aware of any way to model two different residues in the same position or will COOT always prevent this? Best, Marie Müller ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
