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Re: [ccp4bb]: Asn-NAG bond
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dear Filip,
You probably have to create a patch for your carbohydrate link in your
generate.inp script. The patch specification B1N stands for the Asn
nd2-NagC1 link.
the section in your generate script looks like this...below
best whishes robert
{=========================== carbohydrate links ===========================}
{* Select pairs of residues that are linked *}
{* First entry is the name of the patch residue. *}
{* Second and third entries are the resid and segid for the atoms
referenced by "-" in the patch. *}
{* Fourth and fifth entries are the resid and segid for the atoms
referenced by "+" in the patch *}
{+ table: rows=12 numbered
cols=6 "use" "patch name" "segid -" "resid -" "segid +" "resid
+" +}
{+ choice: true false +}
{===>} carbo_use_1=true;
{===>} carbo_patch_1="B1N";
{===>} carbo_i_segid_1="A"; carbo_i_resid_1=327;
{===>} carbo_j_segid_1="A"; carbo_j_resid_1=143;