Hi Group I am refining one of the structures that has modified amino acid and it is not defined in the CCP4 dictionary. I got the restrains using ELBOW and used it for refinement. However, when I refine the structure using REFMAC, the bond length deviates significantly from the ideal/ given value in the restrains file. for example: BR-CZ bond length is 2.01 ang (observed), but the ideal value is 1.9 ang. Bond angle and torsional angles are also behaving in a similar way.
Can you please suggest a method by which I can fix this issue. I am happy to provide any other information. Thank You PK ######################################################################## 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/
