[ccp4bb] Refmac- riding hydrogen

2015-04-15 Thread Sasha Pausch
Dear CCP4bb, When we select 'generate all hydrogen atoms' option in Refmac5, does it use riding hydrogen model in refinement? -- Regards, Sasha Pausch

[ccp4bb] Detwin program

2015-01-28 Thread Sasha Pausch
Dear CCP4bb, I am facing a problem in generating .mtz output file from DETWIN program in CCP4 (version 6.5). Program is finishing successfully with log file but not mtz file. Please suggest me a way out! Thanks in advance, -- Regards, Sasha Pausch

[ccp4bb] Amino acid side chains without density

2014-11-11 Thread Sasha Pausch
Dear CCP4bb, Sorry for asking a naive question. I am trying to deposit a structure in PDB. I would like to know whether we have to delete the side chains of amino acids for which we are not finding density or people prefer keeping the side chains occupancy zero? Is there any other way to do this?

Re: [ccp4bb] Calculating over all bend in a DNA

2014-10-22 Thread Sasha Pausch
, Tim Gruene wrote: > Dear Sasha, > > you can select two pairs of three corresponding atoms at either end of > the stand and calculate the plane normal of each set. The angle between > the normals would be the overall bend. > > Best, > Tim > > On 10/21/2014 09:53 PM,

[ccp4bb] Calculating over all bend in a DNA

2014-10-21 Thread Sasha Pausch
Hello CCP4bb, May I know how can we calculate or use any server which can calculate the overall bend in a DNA (crystal structure)?

[ccp4bb] How to rename nucleic acid residues in PDB files

2014-10-06 Thread Sasha Pausch
Hello All, I would like to know how to change the nomenclature of bases (for example from Ad to DA for adenosine triphosphate) in PDB file.

[ccp4bb] Protein-DNA structure solution

2014-07-30 Thread Sasha Pausch
for refining DNA in Refmac for a Protein-DNA complex? 4) Which versions of refmac and COOT support DNA refining and model building? Thank you in advance, Sasha Pausch