[phenixbb] PDF slides:
Mayer, Mark (NIH/NICHD) [E]
mayerm at mail.nih.gov
Sun Mar 8 19:43:14 PDT 2009
These are excellent tools for students and the working crystallographer;
no need to apologize to sending to BB. For the 1st time I understood
value of automation in refinement. But, its still a work in progress, good
for everyone these days, and perhaps puts forward an ideal situation,
bit different from what some of us encounter in real life.
What would be great in future would be examples and discussions about
how/when to go anisotropic at resolutions where this is clearly warranted
but not for the the whole chain, (e.g. we have current structures @ 1.6 Å
which still have loops with almost no density) so advice on how to define
boundaries for isotropic and anisotropic refinement in single chain would
It was also interesting to see in your PDF that building still plays a key role in
structure solution; its obvious to anyone solving structures that
manual intervention is still needed here. Definition for refinement
of residues and solvent with coupled ACs still requires a lot of manual
intervention after building and automation before refinement would be
a real help!
Thanks again for all your contributions.
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