Dear Chris,
Did you specify your residues in the pdb as alternative
conformation, e.g. name your conformers in the pdb ASER and BSEP? For buster and
ligands this works for me and I would expect this to work for other programs as
well.
Best,
Herman
Hello,
I have a structure with a phosphorylated
residue, but it looks like the residue may not be completely phosphorylated.
I’ve currently modelled the residue purely as the phosphorylated variant, and
have now been trying to put in a second conformer for the unmodified residue,
but I’m finding the programs don’t like two different residues with the same
number.
What is the best way to tackle this? Should I go back to normal
residue designation and then make a link to the ligand? Does anyone have a
link to help me do
this?
Thanks,
Chris
-------------------------------------------------------
Dr.
Christopher Wanty
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Research
Associate
Biomolecular, Biomedical and Chemical Sciences,
Building
M310
University of Western Australia
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Western Australia
Australia