Re: [ccp4bb] "LINK" and "REMARK 290" of pdb file

2024-01-04 Thread Deborah Harrus
Dear Qixu, You can take a look at existing entries which have link records between 1_555 and another symmetry molecule. For example 5BQC which has various of these. mmCIF: # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id

[ccp4bb] "LINK" and "REMARK 290" of pdb file

2023-12-29 Thread Qixu Cai
Dear all, I'm working on the refinement of a crystal structure. In the structure, one crystal packing interface is mediated by a compound with two coordinate covalent bonds to two macromolecules from different asymmetric units. Thus I need to specify two "LINK" records in the head of pdb file.