Re: [ccp4bb] how to deal with the DNA in Refmac?

2010-01-29 Thread Ed Pozharski
On Fri, 2010-01-29 at 00:14 -0500, Xun Lu wrote: >So, how can I tell Refmac not to sacrifice the geometry of DNA > to fit my poor density? Or, how to fix the DNA (just like in CNS)? > Anyone could share their experience and tricks about dealing with > DNA? > Xun, I needed once to restra

Re: [ccp4bb] how to deal with the DNA in Refmac?

2010-01-29 Thread Alan Cheung
Hi Xun, i'm not sure if i have the best way of doing it, but i've used a cif dictionary file that contains base pair restraints for AT/GC base pairs (sometimes with, sometimes without planar restraints depending on the resolution), and then edit the PDB file header to contain LINKR records that

[ccp4bb] how to deal with the DNA in Refmac?

2010-01-28 Thread Xun Lu
Dear all, I am dealing with a protein/DNA complex. After restrained refinement in Refmac, the bases have been brought closer to each other (about 2A instead of 3A for H-bonding). But in our model, the geometry of the DNA is fine (I even replaced my DNA with theirs by superimposing and edi