On 30/01/15 18:14, Murpholino Peligro wrote:
hello everybody!
Hello Murpholino Peligro,
I was just getting a better structure from the 193L.pdb with coot
(Fetch PDB and map using EDS) Everything was ok,...but the last
residue (129) could not be refined ...The warning that appeared was
something like ->
INFO:: check_dictionary_for_residues - problem...
WARNING:: Failed to find restraints for :CL:
When I read in the PDB file, I see:
INFO:: using standard CCP4 Refmac dictionary to search for "CL"
There are 2 data in /extra/paul/ccp4/ccp4-6.4.0/lib/data/monomers/c/CL.cif
INFO:: using standard CCP4 Refmac dictionary to search for "NA"
There are 2 data in /extra/paul/ccp4/ccp4-6.4.0/lib/data/monomers/n/NA.cif
INFO:: making map from mtz filename coot-download/193l_sigmaa.mtz
You see that coot finds the CL restraints in the same place that it
finds the others (standard amino acids). I wonder why that appears not
to be the case for you.
Strange thing was that in only occurs with the last residue.
Yes. Residue 129 is a LEU. Residue 130 is a CL. I didn't have any
problem refining residues 129 or 130.
I try to change the pdb Chloride atom to CL- but didn’t work ..
No, in fact I don't know how you'd do such a thing.
I have ubuntu 14.04+openbox and coot's official build for that platform.
Good for you. Please do a
$ coot --version-full
for me please.
Paul.
