Re: [ccp4bb] Refmac5 restrained refinement could not keep the changes made in Turbo

2007-05-18 Thread Eleanor Dodson
Have you adjusted the wighting scheme from 2A - you want to relax the geometric restraints at 1.2A - best to use WEIGHT AUTO.. Eleanor XJ XJ wrote: Dear all, I am having a problem with refining my structure using refmac5. Basically, I am trying to make some small changes to several places on

Re: [ccp4bb] Refmac5 restrained refinement could not keep the changes made in Turbo

2007-05-17 Thread Tim Grune
Hi, at 1.2A resolution, you can probably go higher than 2 with the weighting term, especially at the end of your refinement, when the model is near completeness. You can try 'weight auto' to let refmac5 figure out the correct weight (you have to use 'Run&View Com file' to edit the script manual

[ccp4bb] Refmac5 restrained refinement could not keep the changes made in Turbo

2007-05-17 Thread XJ XJ
Dear all, I am having a problem with refining my structure using refmac5. Basically, I am trying to make some small changes to several places on the backbone. But the thing is that, after restrained refinement, the changes I made would be all gone and the chain stayed exactly where they were befor