On 04/05/2017 13:30, Jan Stransky wrote:
Hi,
how does coot define what is ligand, namely for go_to_ligand()? Is it
possible to tweak the definition?
It is defined by the HETATM record in the pdb file.
I have some small ligands in structure (acetate, sulphate, ...) and
those are not recognised as ligand. I can imagine, it can be handy to
skip those, when bigger more interesting things are present, but when
they are only ligands in structure...
I guess you will have to make sure that the ligand are HETATMs in the
pdb file. You can use of course Coot to do so:
Extensions-> Modelling-> Assign (Force) HETATMs for this Residue
HTH,
B
--
***
Dr. Bernhard Lohkamp
Associate Professor/Docent
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487695
fax: (+46) 08-327626
email: bernhard.lohk...@ki.se
