On 26/10/10 14:08, Maria Hakansson wrote:
I have a rebuilding problem of a NAD molecule using coot. The NAD
molecule was fetched using
the load monomer command in coot and the restraints cif file was also
in the library. However the program complains about
"Fails to match model atom names NN7 and NN1" and thus it is not
possible to do real space refinement.
I guess it is a naming issue. Any advice how to get around it? The
coordinates are possible to refine using Refmac so it
seems to be more coot related than general.
Hello Maria,
Yes, you are right, it's a naming issue.
This is a frequently asked question that I have not yet added to the
FAQ. Basically, you have to quote the NN1 and NN7 in the dictionary
(i.e. NN1 becomes 'NN1 ' (IIRC) and similarly for NN7). You can read
more by searching the mailing list archive.
I have not added work-arounds into Coot because 1) I do not believe that
the should live there 2) the NAD (etc.) problems will go away when we
move to PDB v3 format.
Regards,
Paul
(back from travels (briefly)).
