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. The "LINK" record between the compound and macromolecule in the same asymmetric unit is generated by refmac automatically. However, refmac does not generate the other "LINK" between the compound and the symmetric macromolecule. Thus I want to add the LINK record myself. As the LINK is between different symmetric molecules, I need to specify the symmetry code, such as "1555", "2555" and so on. The symmetry code is dependent on the "REMARK 290" record. My question is: 1. How can I generate the "REMARK 290" information? 2. Any easier method to generate the "LINK" record between molecules from different asymmetric units?
Thanks a lot for your help! Best regards, Qixu Cai Email: caiq...@gmail.com ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
