Hi Neil,
this appears to be a bug that certain functions dont handle alt confs
properly. This should be fixed in rev 4506.
B
I am having issues using the 'stepped refine' (Extensions > All
Molecule > Stepped Refine) feature in coot (0.7 rev 4459) for
windows. It appears to ignore residues with multiple conformations
as expected, but only when they are 'alone'. If a structure contains
more than one residue with an alternate conformation in a row, the
refinement moves one or both of the residues completely out of the
density.
Is this a known issue, or is there a fix? Temporarily, I have been
breaking up the alternate conformers in a series and rebuilding them
after the refinement is complete. Thanks.
Neil
--
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: [email protected]
