[ccp4bb] Removing a ter line present in the middle of the chain

2017-11-06 Thread Rashi Aggarwal
Dear all, I have an unnatural amino acid in my structure which I could successfully add in coot. The amino acid is taking the right bonds when viewed with coot. However, the pdb file has a ter line just above the residue. If I remove this line and submit the pdb to refmac it again adds the ter

[ccp4bb] Adding unnatural amino acid

2017-10-17 Thread Rashi Aggarwal
Dear all, I am trying to add an unnatural amino acid to a structure in coot. I was able to successfully place the residue in the electron density. Also, I could establish links between the residue and the polypeptide chain using the 'make links' option in coot. However, I was wondering how to

[ccp4bb] R free flag

2017-09-20 Thread Rashi Aggarwal
Hello, I am trying to refine a structure that is deposited in PDB. I have downloaded the _sigmaa.mtz file from the electron density server. Trying to run refmac using this mtz file gives me the popup free R label has not been set. How can I set free R label in an existing mtz file so that