: [ccp4bb] Summary - torsion angle restraints in REFMAC
Interestingly, in the interactive 3D applet view of the
ligand from the PDB
the two are perfectly in plane, whereas in the protein viewer
the two groups
are clearly out of plane. I assume that this means that the
coordinates for
the 3D
RE: Ian's and Eckhard's wise suggestion to deposit non-standard
parameters used to refine ligands:
I have had some ligands where the 1 8 peri-substituents (amino
methyl groups) on a 6/6 fused aromatic ring (deazapteridine derivatives)
were very clearly out of the plane. It took extensive
and are not representative of
what's actually in the PDB.
Hmm?
Artem
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Borhani, David
Sent: Tuesday, December 09, 2008 9:25 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Summary - torsion angle restraints in REFMAC
RE: Ian's
