Hi Jacob,
Modeling programs need to take hydrogen bonding into account in their force
fields so they typically have good measures for hydrogen bonds. I personally
use YASARA to get the numbers you want.
This is also what PDB_REDO uses to give you the hydrogen bond energy and the
the number of h
Dear Crystallographers,
Is anyone aware of a relationship between H-bond distance and energy thereof,
maybe with a little geometry and +/- charge thrown in? I am looking at a
structure with many H-bonds to a ligand, and wondered about the relative
importance of each.
JPK
*
Postdoctoral position in structural biology (crystallography and cryo-EM) opens
at the University of Massachusetts Medical School (Korostelev Lab):
http://labs.umassmed.edu/korostelevlab
The focus of research in the lab is on translation and translation regulation,
via structural visualization an
Dear all,
Here's a very basic question --
I am doing some initial crystallization screening now but unfortunately our
robot got broken and it will take a while to get funded for buying a new
one:( So I have to set up all trays by hand. While it is still durable to
use our current pipettes sets, wh
Dear all
NIH-funded post-doctoral associate positions in the Public Health Research
Institute at Rutgers New Jersey Medical School are available to study the
mechanisms of HIV-1 membrane fusion and assembly as well as their inhibition.
The associate will report to Dr. Min Lu and work in his str
Post-doctoral job position opening in membrane protein structural biology
and biophysics
I have a post-doctoral position open in my lab (membrane protein
lab/structural biophysics group at the CPC/NIBR/Novartis, Basel,
Switzerland). The research of the lab is focused on understanding GPCRs
using
On 9 June 2014 09:29, Carles Palanca i Garcia wrote:
> Hi again and thanks for your answers.
>
> I have been considering your comments and as I see it I have three options
> A) Leave the pdb with no TLS refinement, as I already have good R values
> without them.
> B) Perform the TLS refinement an
Hi again and thanks for your answers.
I have been considering your comments and as I see it I have three options
A) Leave the pdb with no TLS refinement, as I already have good R values
without them.
B) Perform the TLS refinement and not worry about the high B-factors since it
is normal that the
