6 Oct
2007
6 Oct
'07
7:40 p.m.
Hi Jianghai, The NAG-ASN link is defined with two modifications (in mon_lib_list.cif): NAG-ASN NAG DEL-O1 . ASN DEL-HD22 . bond_NAG-C1_=_ASN-ND2 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. Ralf