[ccp4bb] coot

2011-02-28 Thread FREITAG-POHL S.
Hello everybody,

Currently I am refining my 6 x 220 amino acid structure and 
I was wondering if COOT is automatically writing a kind of protocol
what I am changing in my pdb file when I am fitting-in new residues or mutate 
amino acids. If so where can I find it?

Thanks a lot,

Stefanie

Dr. Stefanie Freitag-Pohl
Durham University
Chemistry Dept
South Road
Durham.  DH1 3LE
Tel:  0191 3342143
Email: stefanie.freitag-p...@durham.ac.uk




[ccp4bb] crystal contacts and ligand binding

2010-06-21 Thread FREITAG-POHL S.
Dear all,

I am wondering if there are publications, where it is shown
that a ligand/substrate was not able to bind in one crystal
form of a protein, but was found in another crystal form.
In other words:
is there a case where the crystal packing interactions are
proofed to be responsible for non-binding of a substrate?

Thanks for any hints,

Stefanie

Dr. Stefanie Freitag-Pohl
Durham University
Chemistry Dept
South Road
Durham.  DH1 3LE
Tel:  0191 3342143
Email: stefanie.freitag-p...@durham.ac.uk