Wim Vranken wrote:
> 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!).
There's a specific meaning to the wildcards # + * %
From the Xplor manual:
# : matches any string consisting of numerals
+ : matches a single character consisting of a numeral
* : matches any string
% : matches a single character.
-E
>
>> 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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