Dear CCP4ers,
I think that characterize hydrogens as "transparent" to x-rays is
somewhat misleading. There are plenty of examples where hydrogens are
seen in ultrahigh resolution structures. Modern refinement programs all
use riding hydrogens and it improves models. More precise statement is
The increase in RFZ is relatively small and not entirely unexpected.
While hydrogens only contribute one electron (as opposed to carbon (6),
nitrogen(7), oxygen(8) and sulfur (16)), there are many hydrogens (in
fact, almost as many as all the other atoms combined). For instance, in
lysozyme you ha
Just to avoid any problem
pdbcur xyzin X.pdb xyzout X-nohyd.pdb
DELHYD
END
Eleanor
Francois Berenger wrote:
Markus Rudolph wrote:
Hello,
long ago I had a case when HG1 etc. were interpreted as mercury by
phaser.
Could that be relevant to your case?
I hope not.
However, as I have alrea
Markus Rudolph wrote:
Hello,
long ago I had a case when HG1 etc. were interpreted as mercury by phaser.
Could that be relevant to your case?
I hope not.
However, as I have already seen EPMR handle some Hydrogen as Carbon,
I am ready to see anything happening! :(
I will have a quick look to
Hello,
I have 4 molecules.
If I use Phaser's AUTO_MR with all default parameters on them,
I get the following scores:
no_modif remove_H
molecule RFZ TFZ RFZ TFZ
16.9 9.6 7.0 9.4
25.2 5.9 5.4 6.2
34.2 4.5 4.7 5.2
44.9 6.8 5.2 6.7
Hence, here are my e
