Vitaliy wrote:
> Hello,
> I was wondering how formatconverter exports an ambiguous constraint to the
> cyana format. In my hands it sets the upper limit to 0.00 for all ambiguous
> constraints except for the first in the list. Thus I've found lots of 0.00
> upper limits in the exported file:
> 80 GLU H 21 LEU QD1 2.85
> 80 GLU H 76 LEU QQD 0.00
> 80 GLU H 89 VAL QG1 0.00
> Thank you,
> Vitaliy
>
this _is_ the ambiguous distance restraint format from cyana, the first
pair carries the distance, the next pairs have distance 0.0 [* you can
leave it out even]. the first pair with a non zero distance signifies
the next (ambiguous) restraint.
[*] cyana can read this ADR too
80 GLU H 21 LEU QD1 2.85
80 GLU H 76 LEU QQD
80 GLU H 89 VAL QG1
Eiso
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