Dear Len,
maybe a slight side-track, but you could consider taking one step back
and applying a slightly different approach to data-processing -
something we call "F(early)-F(late)" maps in autoPROC [1].
Why could that be useful here? Because it might allow you to
(1) differentiate between radi
Hello, it depends a bit on the resolution. With d<1.2 A you can, of course, do some quite complicated modelling of alternate confirmations, group occupancies, etc - actually you can do this very meaningfully at worse resolutions, too. My favourite subject - if your resolution is better than ~1.4 to
I'm not aware that anything has changed since the last time this was
discussed on the BB. Currently there is no ideal solution since even
the mmCIF PDB format does not allow a proper description of the
situation of atoms whose position cannot be placed due to the absence of
data.
The "Ligan
Hello all,
This is one of those issues that seems to come up now and then. I have been
working on a structure that obviously has some radiation damage as indicted by
negative density and/or high thermal parameters. Since we know that residue X
is in the sequence the sidechain should be there
