Re: [ccp4bb] refining low resolution structures

2008-04-17 Thread Bjørn Pañella Pedersen
Hi Mario Maintaining the secondary structure of your protein when refining against weak data can be really challenging. There are some options, but in the end you might have to accept a fairly large number of Ramachandran plot outliers. Try phenix.refine with the keyword

Re: [ccp4bb] refining low resolution structures

2008-04-17 Thread Anastassis Perrakis
Remember that phi-psi angels are excellent for validation purposes, but only when they are unrestrained, so if you restrain them you lose this option. The above is a very important point! Having now said that, restraining alpha-helices hydrogen bonding, and beta-sheet cross-strand