Partha Chakrabarti wrote:
Hi,
Could someone point me to the best ways of building a non standard ligand?
I had PEG-400 in the cryo, and the density is about twice as long as
the "PEG"
that is in the monomer library.
I can get the cif file for PEG-400 from prodrg (1PE). Just wondering
what is
the best way to use it for importing molecule, real space fitting etc.
I would use:
Extensions -> Modelling -> Replace Residue -> DRG { or whatever 3 letter
code PRODRG gave you }
or
Modelling -> Superpose Ligands
and then
Calculate -> Merge Molecules
or even
{ Read in PEG-400 ligand pdb file }
Calculate -> Other Modelling Tools -> Right Here -> Find 'Em
{optionally click the "flexible" button for extra fun (and much less speed)}
Paul.
