Hi Bernhard
I'm sure you're right: it must be a typo. I think the problem is that
people get into the habit of including the minus sign in
EXP(-B*2*SINTH**2/L**2), e.g. when writing the expression for structure
factor, without thinking whether the formula is actually applicable to
the
Dear all,
In our structure, we expect to see a 2-oxo-histidine. But we don't not how to
describe it in the PDB file and to refine it.
We haven't found any similar description in the PDB. How can we do in order to
define the corresponding library for ccp4?
Adeline ROBIN, Daouda TRAORE
So one obvious questions: was your crystal fully bathed in the beam ?
If not: would be interesting to try having a look at the unmerged
data...Well, easier to suggest than to do...
I recall being frowned upon by my former supervisor (a small molecule
crystallographer) for having crystals
Mischa,
Though the FX4500 is expensive, it is (unfortunately) the only option
for hardware stereo 3D. And with that card, I can personally attest to
the fact that it is possible to have a 30 LCD and a ~22 stereo-capable
CRT running simultaneously off of a single Mac Pro system.
Thus, you can
I think openbabel (http://openbabel.sourceforge.net/wiki/Main_Page) might do
it!
Dante Neculai
-Original Message-
From: CCP4 bulletin board on behalf of Ingo P. Korndoerfer
Sent: Tue 4/24/2007 5:10 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] directly write .mol or .sdf files
dear
