[phenixbb] conflicting bond_simple restraints
Jianxun Qi
jxqi at im.ac.cn
Tue May 21 22:51:27 PDT 2013
Hi,
I had a phosphoserine (SEP) in my structure that is attached in this message. The data_link file for SEP already exists in the mon_lib (data_link_SEPC-N) and the corresponding cif_link I used is as follow:
refinement.pdb_interpretation {
apply_cif_link {
data_link = "SEPC-N"
residue_selection_1 = "chain C and resname PHE and resid 3"
residue_selection_2 = "chain C and resname SEP and resid 4"
}
apply_cif_link {
data_link = "SEPC-N"
residue_selection_1 = "chain C and resname SEP and resid 4"
residue_selection_2 = "chain C and resname ARG and resid 5"
}
}
When I run the phenix.refine (my version is phenix-1.8-1069), it said conflicting bond_simple restraints:
Sorry: Conflicting bond_simple restraints:
1. definition from: residues: PHE + SEP
2. definition from: residues: PHE + SEP
atoms:
"ATOM 3121 C PHE C 3 .*. C "
"ATOM 3192 N SEP C 4 .*. N "
Has anyone ever experienced this case before? Any hints are welcome.
Regards
Jianxun Qi
May 22,2013
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