[phenixbb] a question on NAG-ASN cif file

[Nigel Moriarty]

This file works.


On Wed, Aug 28, 2013 at 7:26 PM, <fn1 at rice.edu> wrote:

> Hi Nigel,
>
> I tried your nag_asn.cif file. I did not include hydrogen in the
> refinement, so i always get the error message that NAG-ASN could not be
> applied.  So i remark the angle definition that contains hydrogen and the
> same for the plane definition, as follows,
>
> #NAG-ASN  1 C1      2 ND2     2 HD2     119.000    3.000
> #NAG-ASN    plane1    2 HD21       .020
>
> by doing this, the program could run through.  However, when i check the
> geometry output .geo file, only the added plane information is seen, no
> chirality of C1 in NAG is seen.  Did i do something wrong?
> Thank you!
> Fengyun
>
>
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-- 
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov
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