Dear Min,
in addition to what Greg Warren wrote, to my knowledge, there is still a
big uncertainty in the calculation of desolvation energies. A colleague
of mine, a theoretical physicist, when I was at Hoffmann-La Roche, tried
to calulcate the desolvation energy contribution to the total
Did anyone using Nano ITC low volume ( 190 ul) for protein interaction?
Dear Sir or Madam:
Recently, my laboratory buy a Nano ITC low volume ( 190 ul) for protein-ligand
interaction or protein-protein interaction. The Nano ITC low volume (190 ul)
machine is made by TA instrument. The cell
In addition to what was rightly said, the problem is actually on both,
theoretical and experimental, ends. What is taken as experimental
value is not very well defined, and figures may vary quite
significantly, simply because enthalpy change depends on the precise
chemical environment your protein
Hi Andreas,
this is the way I do it:
I use the program SITUS to convert the volume (in some SITUS-friendly EM
format) to a pdb bead model (vol2pdb). Then I'll input that PDB into CRYSOL
to generate the theoretical scatter.
I vaguely recall that Chimera has a SAXS function (not sure), but
Dear alls
I am sorry but I have a problem with the installation of last version
of CCP4i on systems Window 97 and Window Vista
I am trying to run Scalepack2mtz and I get this message after failing
The program run with command: ctruncate -hklin
C:/Ccp4Temp/PROJECT_1_1_mtz.tmp -hklout
Hello-
On Fri, 23 Jul 2010 11:54:43 +0100, Andreas Förster
docandr...@gmail.com said:
Dear all, the other day I obtained SAXS data from which a
low-resolution structural model was calculated. The model is
simpler/less complex than one of the same protein that we obtained
If you used EMAN on single particles (http://blake.bcm.tmc.edu/eman/)
proc3d yourmap.mrc dummymap.mrc apix=?.?? calcsf=sf.dat
sf.dat gives the F**2/s distribution for the map - with max=0.0
I think so you will need to scale.
Steve.
Quoting Andreas Förster docandr...@gmail.com:
Dear all,
Dear alls
I am using ccp4 6.1.2 (ccp4i 2.0.5).
When I tried to add project in ccp4i, I received the error message as
Application Error, Error: can't read array (/CCP4_DATABA).
I can make the new project but the project disappeared once I exit from
CCP4I.
What is the problem? How can I
Molrep 11.0 is available from here:
http://www.ysbl.york.ac.uk/~alexei/molrep.html
Several improvements recently, but the main news is
a new algorithm of Multi-copy search.
Instead of searching for two copies and then for the next two etc.
the program constructs larger multimers
