James Murphy wrote:
I need to model in tetrachloroaurate molecules into a structure, from
our heavy atom soak of Potassium tetrachloroaurate.
I created a pdb file by using chemdraw and exporting as an *.sdf and
opening in pymol and saving as a *.pdb (attached)
The method you used to generate the PDB/cif file has several pathologies.
1) Lowercase characters (lowercase is used in the PDB file and
upper case in the cif file)
2) The element identifiers in the PDB file are offset to the right
3) The atom names in the PDB file are offset to the right
Also, coot does not draw bonds between the atoms.
Rev 2042.
Paul.
