Regarding protons in coot version 0.5,
I am using shelx to refine my 1.2 Å data and I am refining the
hydrogen atoms. Subsequent rebuilding in
coot is difficult though since hydrogens often does not "follow" when
you do side chain rebuilding using
add alternative conformation
edit chi angles
real space refine
rotate translate zone
and so on
For the moment I have quit transfering hydrogens to coot and add the
hydrogens every refinment cycle, though
it would be good I think if I could see them in coot without bothering
about wrong positions.
Best regards,
Maria
Maria Håkansson, Ph.D.
tel: +46 (0) 76 8585 706
Senior Scientist, Max-lab, Lund University
fax: +46 46 222 47 10
Ole Römers väg 1 (P.O. Box 188)
www.maxlab.lu.se
