True for fitting + coot, but (if the case is moderate resolution/redundancy) how about refinement and data/parameter ratio, after fitting remerge the 95%?
On Wed, Nov 6, 2013 at 7:29 PM, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > Dear Scott, > > if there were only two different molecules in solution rather than > random combinations of the differing 5%, I don't see a problem in > putting molecule 1 into part A and molecule 2 in part B (or the > respective parts only). This should be unrelated to insertion code. > > Best, > Tim > > On 11/07/2013 12:27 AM, Scott Classen wrote: > > Hello COOTers, > > > > A colleague (not on the coot mailing list… shame on him) has a > > problem. His heterodimer is composed of alpha and beta subunits > > that are 95% identical, and because of his chosen space group, end > > up packing in the crystal lattice such that some residue positions > > (the 5% that are not identical and that are sufficiently well > > ordered to see differences) have mixtures of two different amino > > acids at the same position. How should he deal with this in coot? > > > > Thanks, Scott > > > > > > > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Scott Classen, Ph.D. SIBYLS > > Beamline 12.3.1 sibyls.als.lbl.gov Advanced Light Source Lawrence > > Berkeley National Laboratory 1 Cyclotron Rd MS6R2100 Berkeley, CA > > 94720 cell 510.206.4418 desk 510.495.2697 beamline 510.495.2134 > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > > > > - -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.15 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFSewkbUxlJ7aRr7hoRArNyAJ45YMWcYgjpuNVZBCQJPGgAIbE4tQCdH2Fb > j/SrYejm1bXmABJ28qG6yMw= > =gu5k > -----END PGP SIGNATURE----- > -- David Shin, Ph.D Lawrence Berkeley National Labs 1 Cyclotron Road MS 83-R0101 Berkeley, CA 94720 USA
