On 02/12/10 06:49, Dr. STEPHEN SIN-YIN, CHUI wrote:
> Dear All,
>
> Please see the maps for the ASN residues of the protein, As suggested by
> colleague, they are NAG which are connected to the N atom of ASN413 & ASN611.
> I put the NAG molecule to those density and try to use the following command
Easiest to follow the documentation..
http://www.ccp4.ac.uk/dist/html/dm_ncs_averaging.html
You get the matrices most easily by mapping A to B A to C etc using
lsqkab if you want to average over the A molecule..
Eleanor
On 12/01/2010 05:41 PM, Francis E Reyes wrote:
Hi all
I'm trying to f
I dont think that isnt the correct format for a LINKR record.
LINKRC LEU A -1 N CYG A 0LEU-CYG
LINKRC2 CYG A 0 N SER A 2
CYG-SER
It is like this - it points to a named LINK entry in your restraints
library eg LEU-CYGun refm
If you will replace link line with the following
LINKRC1 NAG A1003 ND2 ASN A 611NAG-ASN
Then it should be read by refmac and by coot. And restraints should be applied
properly
regards
Garib
On 2 Dec 2010, at 06:49, Dr. STEPHEN SIN-YIN, CHUI wrote:
>
Summary attachment: BSG Details.doc
The preliminary programme for the BCA Spring Meeting 2011 at Keele is now
available
at http://crystallography.org.uk/spring-meeting-2011 and registration is now
open.
The Programme Chair for BCA 2011 Keele is Arwen Pearson.
The main meeting takes place April
Dear All,
I have set of pdb files (few hundred), which contain the same ligand. I
would like to get values for chosen torsion angles of ligand. I know I can
do it manually (what would be painful and time consuming) but maybe someone
does know smarter and more automated way of doing it? I would
On Thu, Dec 2, 2010 at 12:17 PM, wrote:
> get values for chosen torsion angles of ligand ...
moleman with a script.
-Bryan
Or eLBOW with a Python script. I can provide a start if you desire.
On Thu, Dec 2, 2010 at 9:29 AM, Bryan Lepore wrote:
> On Thu, Dec 2, 2010 at 12:17 PM, wrote:
>> get values for chosen torsion angles of ligand ...
>
> moleman with a script.
>
> -Bryan
>
--
Nigel W. Moriarty
Building 64R02
Hi,
for each PDB file run:
phenix.pdb_interpretation model_1.pdb ligand.cif
phenix.pdb_interpretation model_2.pdb ligand.cif
...
phenix.pdb_interpretation model_N.pdb ligand.cif
and it will result in a buch of output files
model_1.pdb.geo
model_2.pdb.geo
...
model_N.pdb.geo
where each *.geo fil
I am working on a data set of an T=4 icosahedron protein crystal, employing
molecular replacement methods.
I've consulted a professor, he told me that my crystal is in fact
isomorphous to the model so that there is no need for MR.
So I figured such command lines:
phenix.refine output.mtz model.p
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