[ccp4bb] programs to representation of common surface feature from a series of PDB files

2019-02-03 Thread Green, Todd Jason
Hello All- I am overlaying a series of structures that have a similar sequences and the same topology, and I would like to represent an illustration to shown commonality or lack thereof across the surface of the protein. I am most interested in surface, ie. differences in peaks and valleys. D

Re: [ccp4bb] Generating rotation/translation matrices for biological assemblies

2019-02-03 Thread Eleanor Dodson
But you know that each rotation matrix still only fits one semi-tetramer to its symmetry partner? Eleanor On Sun, 3 Feb 2019 at 16:54, Klontz, Erik wrote: > Thank you all for your feedback. I received many helpful responses. To > summarize them, users might find the following resources helpful:

Re: [ccp4bb] Generating Additional Phasing Statistics

2019-02-03 Thread Georg Mlynek
Dear All, asking a few years back the question why phasing power is not reported, I got following answer: No, we don't generate phasing power statistics in Phaser, just the figures of merit, which usually give a good indication of how well things have worked. Phasing power is defined in terms

Re: [ccp4bb] Generating rotation/translation matrices for biological assemblies

2019-02-03 Thread Klontz, Erik
Thank you all for your feedback. I received many helpful responses. To summarize them, users might find the following resources helpful: http://img.chem.ucl.ac.uk/sgp/LARGE/sgp.htm http://achesym.ibch.poznan.pl http://eppic-web.org http://www.ruppweb.org/new_comp/spacegroup_decoder.htm http://www

Re: [ccp4bb] Generating Additional Phasing Statistics

2019-02-03 Thread Natesh Ramanathan
Dear Jason McCoy, You can refine the heavy atom coordinates in mlphare and you should be able to get both the values Phasing Power and Cullis-R for your SIRAS. Best wishes, Natesh On Fri, 1 Feb 2019 at 19:24, McCoy, Jason (mccoyj5) wrote: > Dear CCP4bb members, > > I am compiling a rebu

Re: [ccp4bb] Generating rotation/translation matrices for biological assemblies

2019-02-03 Thread Eleanor Dodson
Well - you have one of many examples where your 4 chains do not form the biological tetramer, but as you say there are two half tetramers in the asymmetric unit, I would expect that Pisa has already told you there is an interface between AC and it’s summetry equivalent and told you the symmetry ope

Re: [ccp4bb] Generating rotation/translation matrices for biological assemblies

2019-02-03 Thread Bernhard Rupp
The most trivial procedure is probably to generate the symmetry mates in Coot (color by symop makes selection easier), pick the ones completing your known biological assembly, and saving those using File/Save Symmetry Coordinates. Once you have the correct model you can superimpose the dimer