Hi,
How can I save two superposed protein structures in PDB format? Is there
any way I can do this in coot or pymol? There is only one chain in those
two PDB structures.
Thanks in advance,
Abhik
To unsubscribe from the CCP
I have a related question. Why calculating/reporting standard deviation for
cell constants is not now mandatory in protein crystallography. Is there
any reason for that (e.g. difficult to calculate or error in calculation).
Now mmcif being the official format and there is mmcif category for esd,
sp
Dear Fred,
Have you tried NAMD
https://www.ks.uiuc.edu/Research/namd/
Abhik
On Thu, Jan 23, 2020 at 9:43 AM Fred Vellieux
wrote:
> Dear all,
>
> I need to run MD calculations in order to follow the trajectories of a
> very small molecule inside a protein. From previous calculations (not
> MD)
Hi Rajesh,
You may find this database is also useful while refining your model
http://mespeus.bch.ed.ac.uk/MESPEUS_10/
and for calcium
http://mespeus.bch.ed.ac.uk/MESPEUS_10/_5.jsp
Abhik
On Tue, Mar 6, 2018 at 10:59 PM, Patrick Loll wrote:
> Calcium likes to form octahedral complexes with w
Hello everyone,
I got this error, attached below, while running a restrained refinement in
Refmac-5.5.0109. I tried to run the refinement by removing the SCALE entries in
pdb file but got the same error.
* Information from CCP4Interface script
**
Hi
Try this
"select MET1A.CA" in the terminal and then display it with wire frame or sticks.
Hope it helps.
Abhik
On Fri 15/01/10 16:19 , "Rex Palmer" rex.pal...@btinternet.com sent:
> I want to pick a bond or series of bonds in RASMOL and display
> with wireframe or sticks. Any ideas please?
Hi Cedric
TLSVIEW does that one. You will get the software from the web site
http://pymmlib.sourceforge.net/tlsview/tlsview.html.
Regards
Abhik
