This is indeed Xplor/CNS format restraints. The numbers at the end of the
line indicate the distance between the atoms should be restrained to range
between 6.0A (4.0+2.0) and 1.7A (4.0-2.3).
brendan
On Wed, Jun 1, 2011 at 7:53 AM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Wed, Jun 01, 2011, tong Zhu wrote:
> >
> > I had download a NMR Restraints file from PDB website (1i6c.mr), but I
> can
> > not understand the format of it.
>
> > !# 8
> > assign (atom "WW" 3 HB2 )(atom "WW" 6 HE1 ) 4.0 2.0 2.3
>
> I'm pretty sure this is xplor format. You can Google on "convert xplor NMR
> to
> amber" to get some pointers about converting these to Amber format. Also
> check the BMRB (BioMagResBank): I think Jurgen Doreleijers may have some
> scripts that would help as well.
>
> ....dac
>
>
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Received on Wed Jun 01 2011 - 06:00:05 PDT
