Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Edward A. Berry
As I understood the problem, it is that automatic assignment comes out differently for different structures of the same protein or proteins so close that they should have the same secondary structure, due to differences in quality of the structures. The question then is not how to determine

Re: [ccp4bb] !SPAM: [ccp4bb] secondary structure assignment to PDB file

2017-01-30 Thread Tim Gruene
Dear J. Vitali, there are tools that have been mentioned by others, that assist with the assignment. The final decision depends on you as researcher. You should visually check the hydrogen bonding whether the boundaries are consistent with the automated assignment. People often seem to think