Hello Mehdi--
>
> I ran pass2 and pass3 of PASD, the calculated structures did not
> converge at the end of pass3. I checked the final NOE restraints
> (created by convert_restraints_to_xplor.tcl). There are only a few
> long range noes (for instance out of 235 restraints of 2D noesy only
> three are long range). I also checked the converted shifts
> assignments and peaks from xeasy format to xplor, all of the
> assignments belonging to Pseudoatoms (for instance QD of Tyr or QD1
> and QG2 of Ile) are missing. I was wondering if I missed something
> during conversion, and maybe I have to change the name of
> pseudoatoms.
>
Do the distnace restraints explicitly reference the pseudoatom names?
If so, that is your problem, as they do not exist in the Xplor-NIH
psf.
best regards--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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