[ccp4bb] modified base in DNA when using CNS

2010-07-17 Thread hongjunyu
Hi, I think I have new problems here with CNS. The structure contains a DNA with a abasic dideoxyribose(1p,2p-dideoxyribofuranose-5p-phosphate,3DR). But the pdb genetated by generated_easy.inp lose the abasic site. I used the .param and .top of 3DR on HIC-Up website. They work when the model is 3D

Re: [ccp4bb] problem with CNS bgroup refinement

2010-07-16 Thread hongjunyu
Dear Fred. and Martyn: Thank you for your replies. I am new to CNS and I just followed the CNS website protocols. I got your ideas. Since my resolution is 2A, I should skip the bgroup refinement. Hongjun Yu

[ccp4bb] problem with CNS bgroup refinement

2010-07-16 Thread hongjunyu
Hi, I am using CNS to refine the structure.But when I come to bgroup refinement, the produced bgroup.pdb have many residues with very high B factor. I read the bgroup.inp, and found the item‘B-factor groups'with following description: {* select atoms in group 1 - protein mainchain example *} {==

[ccp4bb] DNA pdb format problem when using CNS

2010-07-12 Thread hongjunyu
Hi, I am refining a protein complexed with a modified DNA(cordinates obtained from published structure) with CNS. But I am stuck with the pdb format problem. I followed the tutorial on CNS website and the first step just went wrong when command 'fix_dna_rna' didn't work. I also tried the normal DNA