Re: [ccp4bb] PAK=0 problem

2017-09-22 Thread Rachael Skyner
I think this is pretty much the reason. Other than the fact that completely different methods are used to solve small molecule vs. macromolecular structures, there are a number of reasons that macromolecular structures aren't as easily/routinely solved. A good starting point is to remember

Re: [ccp4bb] PAK=0 problem

2017-09-22 Thread Tim Gruene
Hi James, small molecule structures usually model every or nearly every atom in the asymmetric unit - do you think that simple answer is too naive? Best, Tim On Friday, September 15, 2017 9:25:25 AM CEST James Holton wrote: > You know, I've been pondering that question for most of my adult

Re: [ccp4bb] How to rotate subunits

2017-09-22 Thread Eleanor Dodson
Hmm - that is a bit vague.. There is a CCP4 program pdbset pdbset xyzin monomer.pdb rotate polar theta phi kappa shift x y z But you need to know what to rotate and shift.. Easier is to find a model and fit your monomers over the model. Once you have the rotation done - pISA will tell you the

[ccp4bb] How to rotate subunits

2017-09-22 Thread Vands
HI all, I have a Structure of dimer where I would like to rotate one monomer with respect to other to know the interface surface area buried in different orientations. which software should I use to generate different orientation? thanks for the help. -- Vandna Kukshal

[ccp4bb] Selenomethionine Risk Assessment

2017-09-22 Thread Nicola Evans
Hello all, I am intending to do selenomethionine labelling in E.coli, however my department have asked me for a risk assessment for the experiment due to the toxicity of the selenomethionine. It would be a great help to me if anyone out there already has one that they could email to me to look