Dear all,
is there any consensus about PEG refinement? I'm currently refining several
structures with a lot of bound PEG molecules. However I'm completely
confused now which ligand description to use. For example, a search in Hic
up database reveals 12 possible descriptions for PEG, 5 of them used for
PEG400, but with completely different length ranging from C8 (number of
carbon atoms), ligand ID PG4 up to C24, ligand ID 12P. Other descriptions
are also quite confusable, for example PEG 8K (ligand id PEU) is
C55H112O28, but apparently shorter PEG1500 (ligand id 15P) is C69H140O35.
Shall the crystallography community come up with some standardised list of
descriptions for PEG molecules?
With best regards,
Albert
