You probably need to insert the space group name into the CRYST1 record.
Tthe version of SHELXL that I am planning to release this summer already
deduces the space group name from the LATT and SYMM cards and puts it
there. If you read the .res file into Coot instead of the .pdb, Coot can
deduce
Dear All,
In the crystallography paper table 1, there is "Values in parentheses are for
the highest resolution shell". Is this "highest resolution shell" same as the
"OuterShell" for the analysis result got by Scala?
I am looking forward to getting your reply.
Cheers,
Acoot
Yes
Sent from my iPhone
On 6 May 2012, at 11:21, Acoot Brett wrote:
> Dear All,
>
> In the crystallography paper table 1, there is "Values in parentheses are for
> the highest resolution shell". Is this "highest resolution shell" same as the
> "OuterShell" for the analysis result got by Sca
On 05/05/12 23:07, Badsha Mukherjee wrote:
Hi,
I am unable to open the output pdb file from ShelXL in Coot.
Any suggestion will be appreciated.
Well, it's hard to know what's the problem without details - the console
should say something.
But when handling the output of shelxl, I suggest y
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Hi George:
I am facing the same problem reading .pdb file generated from shelxl in coot. I
have tried inserting the space group name in the CRYST1 record but still unable
to read the file. COOT is able to read the .res and .fcf file and I can see the
map but COOT is not allowing me to build the
