[phenixbb] [Spam] Re: NAG-ASN link
jzhu at cbr.med.harvard.edu
Sat Oct 6 19:45:54 PDT 2007
This doesn't work. I removed all the H atoms from the pdb file and
got the same error.
Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
On Oct 6, 2007, at 10:40 PM, Ralf W. Grosse-Kunstleve wrote:
> Hi Jianghai,
> The NAG-ASN link is defined with two modifications (in
> NAG-ASN NAG DEL-O1 . ASN DEL-HD22 .
> I haven't looked at the chemistry, but this definition suggests you
> have to remove the HD22 atom. I.e. remove the corresponding ATOM
> record from you PDB file. Note that
> Number of atoms with unknown nonbonded energy type symbols: 1
> "HD22 ASN A 15 "
> is formatted exactly like in the PDB file, so you can use this
> as a search pattern to find the line directly.
> phenixbb mailing list
> phenixbb at phenix-online.org
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