Dear all, quickly: is there a way to restrain metal coordination geometry (even angles) in refmac?
I am refining a low resolution structure (3.3A) with 2 zinc binding sites. I am pretty sure about metal position (strong anomalous signal) and what are the residues involved in coordination since I solved the apo-structure at good resolution and Zn-binding does not induce huge structural variations. However, as you can imagine, electron density is poorly defined and Refmac gives a very distorted coordination geometry. I noticed that in phenix it is possible to generate restraints with readyset but I'd like to work with refmac. Many thanks for your suggestions. Cheers, Anna ######################################################################## 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/
