Re: [ccp4bb] AW: [ccp4bb] C-terminal amide

2017-10-14 Thread Abhishek Anan
Dear all, Thank you for the suggestions. I couldn't get the TYR-NH2 cif file to work. Refmac threw up some errors related to the cif file. Also, the TYC is defined as L-peptide but I am not sure why this is not working. In any case, what worked is the following, 1. I positioned the coot pointer i

Re: [ccp4bb] AW: [ccp4bb] C-terminal amide

2017-10-13 Thread Eleanor Dodson
You have labelled the TYC as an L-peptide in the dictionary have you? ( Look at any peptide for the position and format for the label ) I thought REFMAC would then automatically creat a peptide link between residue n and n+1 Eleanor PS and remove the TER record! On 13 October 2017 at 08:08, wro

[ccp4bb] AW: [ccp4bb] C-terminal amide

2017-10-13 Thread Herman . Schreuder
Hi Abhisek (and BB), I use the attached cif file. It has an NH2 residue defined as a peptide and gets automatically linked to the peptide chain in the buster procedure I use. So if your last residue is Tyr 100, you add NH2 101 as a HETATM in the peptide chain. I have not tested it with Refmac