Hi Kalyan,
If you are unable to read the .res file then I suspect that you had and
END without an HKLF.
Thanks to Tim this problem has been fixed now (r4161) if you're feeling
adventurous.
As for the PDB file, yes indeed, Coot will choke if you try to feed it
atoms without residue names.
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Dear Kalyan,
the reason why you cannot read in the .res-file is that you don't have
RESI-cards. They are required by coot.
For the same reason your PDB-file does not contain any information
that would allow coot to refine the coordinates.
As far as
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
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
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
Dear Badsha,
Is it possible to share the pdb such as by linking to it using dropbox, google
docs, etc..? It's hard to trouble shoot the issue without seeing the file.
Thanks,
Sean
P212121
http://store.p212121.com/
