[phenixbb] a question on NAG-ASN cif file

fn1 at rice.edu fn1 at rice.edu
Wed Aug 28 19:26:16 PDT 2013

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!

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