Re: [COOT] simplify CA-Mainchain selection [was Re: a request]

2010-03-26 Thread Sheriff, Steven
Paul: Dirk's is a great idea. I had been wishing that COOT would at least ask if the residue was a Gly or Pro, but at least with good side chain density the real space positioning might work better and choose the proper path for the main chain and side chain. Steven -Original

Re: [COOT] pointer distances, recording water

2010-03-26 Thread Maia Cherney
Hi Paul, the format of the file got screwed. I am resending the file in the attachment. I would like to repeat the description of the problem. There is a difference in recording of water molecules in coot and in phenix. The example is given in the attached pdb file. I apologize for the

Re: [COOT] add terminal residue residue type

2010-03-26 Thread Paul Emsley
Dear Dirk, Dirk Kostrewa wrote: another point for your wish-list: when I add a terminal residue, an alanine is added that I have to mutate into the proper amino acid type in a second step. I would find it very useful, if a popup-window would ask me, which amino acid type I want to add. This

Re: [COOT] pointer distances, recording water

2010-03-26 Thread Paul Emsley
Maia Cherney wrote: Hi Paul, the format of the file got screwed. I am resending the file in the attachment. I would like to repeat the description of the problem. There is a difference in recording of water molecules in coot and in phenix. The example is given in the attached pdb file.