[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!
Fengyun
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