Hello again all, sorry to clutter your inboxes...
With regards to my problem of connecting a
Molybdopterin correctly, does anyone have suggestions
as to the use of LINK statements in my coordinate
file? Or the use of LINK statements at all? This was
an idea when we first started refining the str
Your ligand may well be MTQ or MTV whcih already
exists in the PDB
(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(V)
S
/ \
this has the peterin Mo(S)(O2)
\ /
S
you can download the dictionary connectivity from
either
I think you can do what you want using elbow.builder in phenix with a
smiles string.
You can use something like this to make the cofactor:
http://www.molinspiration.com/cgi-bin/properties
Then use elbow.builder to make the pdb and cif files, and do your
refinements in phenix.
It may be possibl
Hello again all,
We have a molybdopterin active site cofactor. It is a
single molybdenum atom, with 2 oxygens and 1 sulfur as
ligands, and coordinated to a pterin ring via 2 more
sulfur atoms. The geometry of the molybdenum is very
roughly square pyramidal.
The issue that we are having involves
