Re: [ccp4bb] Patterson map

Hi, from the FFT documentation: AXIS  *In general DO NOT change the axis order unless you are in P1 or are very sure you know what you are doing! This is permitted if your map is being calculated using the routines for P1 or P222, bu

Re: [ccp4bb] Patterson map

Can you send your command file ? And how are you displaying the Patterson map ? >From CCP4I you can request a peak search of the map - check if the peaks correspond to ones you would expect from your coordinates Maybe read the map and vector positions into COOT to see? Eleanor On Tue, 21 Jun 2022

Re: [ccp4bb] Patterson map

Hello, in P21, FFT swaps the axes around so Y will be the slowest changing axis i.e. along W in the Patterson, I think. How many atoms are in your model? Very hard to be sure it's not working as the Patterson is so very convoluted with a large model. Cheers, Jon.C. Sent from ProtonMail mobile

[ccp4bb] Patterson map

In ccp4, I can use "Generate Patterson Map" to generate Patterson map in "Map & Mask Utilities". But, I found a serious problem. When I use a set of data with spacegroup P21 and the position of atom is kown, the length of w-axis in the Patterson map is not equal to cell parameters c. What's

Re: [ccp4bb] Patterson Map missing a peak?

Hi Engin, Two thoughts: * Is the Patterson map consistent ? (with different resolution ranges, exclusions, ...). You could possibly give 'GraphEnt' a try [assuming it still works with current generation mtz files]. * The number of heavy atoms may be much larger and may deviate from the know

[ccp4bb] Patterson Map missing a peak?

Hi everybody, I have a little weekend puzzle in my hands. I have (probably) two heavy atom sites and pseudo-translation in P2(1) (i.e. an NCS 2-fold parallel to the unique crystallographic axis). Doing a little algebra, I would expect two self vectors and the pseudo-translation in the Harker s