Re: [COOT] Ligand definition

2017-05-04 Thread Bernhard Lohkamp
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

[COOT] Ligand definition

2017-05-04 Thread Jan Stransky
Hi, how does coot define what is ligand, namely for go_to_ligand()? Is it possible to tweak the definition? 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