Hello Mona,
I am guessing you have the atom name,number and coordinates in your file.
I did something like that and Openbabel will convert it to the pdb file
you desire but as far as I know, you will have to assign a residue name to
the atom yourself. I did this by superimposition on the original
You might need to make sure that the input format you are entering is the
correct one for the program that created the file.
Thanks for the advice everyone. I downloaded the graphic interface for
Open Babel but for some reason it's not converting my file. I'll play
around more with this
Hi XJXJ,
Did you create a library for this yourself? If you fix the ligand into the
density and use those coordinates to create a monomer library for it in
refmac, and use this during refinement, it might let it stay that way.
Arti
Hi there,
I am trying to build a new ligand that I need to put
Shelx can refine occupancies.
Arti
Does anyone know a program can perform the ocupancy refinement?
Or we always only refine B factor to reflect the occupancy?
Thanks
On 4/30/07, Eleanor Dodson [EMAIL PROTECTED] wrote:
Well - it is extremely likely that the peptide is partially occupied
Hello Yingjie Peng
You can do this in SPOCK. You can select all the residues that make up the
pocket and select calculate, volume from the menu for these residues. Hope
this works.
Arti
Dear all,
Is there anyone who can tell me how to calculate the volume of
substrate
binding pocket in a
Hello Gordon,
Theres two that I know of...
Anomalous signal indicators in protein crystallography by P.H. Zwart,
Biological crystallography 2005, D61, 1437-1448
Estimation of anomalous signal in diffraction data, Zbigniew Dauter,
Biological Crystallography, 2006, D62, 867-876.
The Bijvoet ratio
Hi all,
I am a first time SHARP user. I have it installed on SUse 10.0 OS and
configured to ccp4-6.0.2. I do not see the option for inputting known
phase information from my .mtz file on the Global page, even if the mtz
file has the Hendrickson-Lattman coefficients. Also, in the Phase
improvement
