Hi Julien,
> 2. In cns, what's the difference to have # instead of the OR
> statement between all the atoms that are in a single noe peak (case
> B and A respectively, see below)?
>
> A) assign (segid " A" and resid 40 and name HA) (segid " A"
> and resid 40 and name HG12) 2.139 0.572 0.572
> or (segid " A" and resid 40 and name HA) (segid " A" and
> resid 40 and name HG11)
> or (segid " A" and resid 40 and name HA) (segid " A" and
> resid 40 and name HG13)
> B) assign (segid " A" and resid 40 and name HA) (segid " A"
> and resid 40 and name HG1#) 2.139 0.572 0.572
There's no difference - the # means 'any integer', as far as I
remember, so it boils down to the same thing (except shorter!).
> 4. Small bug: I output my distance constraints to cns with
> FormatConverter, using the "one line per constraint" option. If
> there's an OR statement at one point, the next assignement is on the
> same line as the first (see the underlined part below) and that
> makes an error in cns:
>
> assi ((selection1 )) (( selection2 )) 4.753 0.951
> 0.951
> or
> (( selection1 )) (( selection3 )) assi (( selection4))
> (( selection5 )) 4.389 0.878 0.878
Thanks for pointing this out - now fixed, we'll put it on the update
server soon.
As for exporting files with a different chain code when exporting
constraints, click the 'Additional options' toggle, and select the
'Reset chain mapping' button. You should get a popup that asks you for
new mappings for the export before the file is written.
Bye,
Wim
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