Re: [COOT] Mutating MSE to MET leaves HETATM records in pdb.

2014-02-23 Thread Paul Emsley
On 22/02/14 22:12, Oliver Clarke wrote: When I mutate the selenomethionine residues (which for some reason have HETATM records rather than ATOM coming out of BUCCANEER) That is what the PDB format requires, FWIW. to METs in coot, coot changes the records of the side chain atoms, but leaves

[COOT] Mutating MSE to MET leaves HETATM records in pdb.

2014-02-22 Thread Oliver Clarke
Hi all,I’ve encountered what appears to be a bug in mutate (or perhaps a bug in BUCCANEER…).I built a model into a low-res seleno dataset using buccaneer, and then used it to solve the higher res native set using MR.When I mutate the selenomethionine residues (which for some reason have HETATM