Tim, that is of course different from my original question, which was more about coot capabilities.
It's ~1.7A, and I am not sure what you mean by model bias. To be more specific, there is a positive density peak suggesting alternative position for CE. When refined with full set of atoms, everything but CE ends up pretty much in the same place. I am sure terminal torsion angle affects positioning of atoms that are closer to the backbone, but the differences might be below the margin of error and there is simply no evidence for multiple positions of these. If you check, for instance, standard conformers 2, 3 and 4 for methinonine in coot, they are pretty much the same except for CE. It seems reasonable that only CE should be modeled in alternative positions. Cheers, Ed On Wed, 2012-06-06 at 23:23 +0200, Tim Gruene wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Ed, > > what resolution do your data have which make you think that the map > you are staring at is without model bias? It is worth splitting the > whole side chain for dual conformations and unlikely that really only > one single atom as two possible conformations. > > Regards, > Tim > > On 06/06/2012 09:16 PM, Ed Pozharski wrote: > > Are there plans to implement a "partial" double conformer feature? > > What I mean by this is that currently one can only choose whether > > to make alternate conformers with or without backbone atoms. I am > > staring at a methionine which only appears to have CE in different > > position, so it does not seem reasonable to have alternate > > positions for every other side chain atom. > > > > The workaround is to create double conformer for the whole side > > chain and then delete individual atoms - 4 clicks in this case, > > quite doable. But I thought maybe there is some trimming option or > > ideally one would be asked at which atom to split the chain. > > > > Cheers, > > > > Ed. > > > > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.12 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFPz8o+UxlJ7aRr7hoRAsHeAKCp8ZQXkFXh5Zy8GrhxwI540O+NrACgudyZ > /GRSaxHHcba2IzrtDERkopk= > =7k3o > -----END PGP SIGNATURE-----
