[phenixbb] Non-standard residue numbers in NCS restraints
Ralf W. Grosse-Kunstleve
rwgk at yahoo.com
Thu Dec 23 08:29:04 PST 2010
> Reference selection:
> chain H and (resseq 1:100A or resseq 100H:113)
> Restrained selection:
> chain I and (resseq 1:100A or resseq 100H:113)
Could you try with
reference = chain H and (resid 1:100A or resid 100H:113)
selection = chain I and (resid 1:100A or resid 100H:113)
Then look in the .geo file to verify that the selections
work as expected.
(I'm not sure why the program doesn't stop when you
give it "resseq 100H:113", to be honest; it should.)
Ralf
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