Hi all,
I was trying to use SHELXD program for protein peptides (6-7 residues) for
the very first time, and I got the .pdb file which should be the correct
solution. However, in the .pdb file, the atoms are labeled as ABC and they
are not recognized as amino acids.
My question is normally what pr
Dear All,
For the PDB_extract, one item to be filled is "Deposit Structure Factor
Used for Final Refinement". If this way the structure factor which could be
downloaded from RCSB after depositation will be not the final
structure factor corresponding to the final deposited PDB file, as for wha
MolProbability score doesn't mean too much in your case, since you are
essentially using a 1.5 A model against a 3 A database. The differences in
the blobs might caused by the different delta sigma settings when you were
viewing these two models.
I have successfully used TLS for a 3 A dataset befor
Hi,
I was confused with the input .hkl file for SHELXD. I was using ccp4 to
prepare these files, and I am not sure whether I was doing it correctly.
1st I did scale2mtz to generate .mtz file
2nd I used mtz2various to convert .mtz to .hkl format. I also found a
program prephadata which can convert
On Saturday, 18 February 2012, Naveed A Nadvi wrote:
> Dear crystallographers,
>
>
>
> I am fairly new in crystallographic work and structure determination, but I
> thought this would be the best place to post my questions. We had collected
> structural data for a protein that diffracted to 3
