Thanks everyone. I had already tried the hiccup TPO file which hadn't worked either, but elbow seems to work well. Simon On 7 Aug 2008, at 16:30, Pavel Afonine wrote:
Hi Simon,
did you try to use eLBOW to generate a cif file? If you use PHENIX, then using eLBOW is an obvious choice to create cif files for your ligands:
phenix.elbow model.pdb --residue=XXX
or
phenix.elbow model.pdb --do-all
Pavel.
On 8/7/2008 7:40 AM, Simon Kolstoe wrote:
phenix.refine keeps on stopping with the error:
AssertionError: Conflicting dihedral restraints: tor id: var_002 1. definition from: residue: DRG, conformer A 2. definition from: residue: DRG, conformer A atoms: " CB DRG A 500 " " OG1 DRG A 500 " " PAL DRG A 500 " " OAF DRG A 500 "
It is for a phospho-threonine residue whose dictionary I made in PRODRG. I've tried all the different charge states of the phosphate however phenix gives the same error every time. Any ideas?
Thanks,
Simon _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
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