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
________________________________
From: CCP4 bulletin board [mailto:[email protected]] On
Behalf Of Christopher Wanty
Sent: Tuesday, February 21, 2012 8:13 AM
To: [email protected]
Subject: [ccp4bb] Modified and unmodified residue
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
[email protected]
Research Associate
Biomolecular, Biomedical and Chemical Sciences,
Building M310
University of Western Australia
35 Stirling Highway
Crawley 6009
Western Australia
Australia
