Hi,
I was trying to use SHELXD to solve peptide structure. But I got stuck in
the input .ins file, and I need some advice.
In the .ins file,
TITLE
CELL
ZERR
LATT
SYMM
SFAC C H N O
*UNIT*
*FIND*
*PLOP*
NTRY
HKLF
END
A rough estimate, there will be 62 C, 122 H, 14 N, 32 O in one unit cell.
1 for *
Hi,
I was trying to use SHELXD to solve peptide structure. But I got stuck in
the input .ins file, and I need some advice.
In the .ins file,
TITLE
CELL
ZERR
LATT
SYMM
SFAC C H N O
*UNIT*
*FIND*
*PLOP*
NTRY
HKLF
END
A rough estimate, there will be 62 C, 122 H, 14 N, 32 O in one unit cell.
1 for *
Hi ALL,
This is the first structure I am working with.
As the title said, I was stuck in the middle of model building using coot,
and I found a big positive peak for Cadmium ion. The coot program doesn't
*know* the cadmium ion when I add a Cd atom there (under the "place atom at
pointer" menu--> "
) to be CD
> ATOM471 CD CD A 81 23.896 6.780 5.956 1.00 60.81..
>
> The residue number must be different from any existing residue..
>
> The REFMAC log will trell you what it disliked, but not very well marked..
>
>
>
>
> On 11/28/2011 08:16 PM, Lu Yu wro
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
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
Hi all,
I was using SHELXL for the refinement of a small peptide molecule (6-7
residues), and it was working for the first round. But then it gave me an
error message. I don't know what's going on and have you had the same
problems? Can you give me some suggestions?
*For more information*:
I was
