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Re: [ccp4bb] phases origin shift (SOLUTIONS) |
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CCP4bb navigationCCP4bb <-- 2008 <-- June 2008 <-- 07 June 2008Subject: Re: phases origin shift (SOLUTIONS) From: Jianghai Zhu jzhu {- at -} IDI {- dot -} HARVARD {- dot -} EDU Date: 2008-06-07 Use the CALC option in SFTOOLS to add the phase shift, i.e. 180*l for (0, 0, 1/2) and A'=Acos(180*l), B'=Bcos(180*l), C'=C, D'=D for HL coefficients. I have not tried it, but I think it should work. Another more general solution: Build crude models in the maps. The model can be very crude for this purpose. Shift the origins of your pdb file using MOLEMAN. Calculate a map from your origin shifted pdb file using SFALL. Now you can shift the origins of your experimental phases by RESOLVE or CPHASEMATCH using the phases derived from the origin shifted pdb as the reference. Now the reference phases and experimental phases have the same cell constants and space group, the resulting origin shifted experimental phases will not be distorted. -- Jianghai On Jun 6, 2008, at 12:01 PM, Jianghai Zhu wrote: > Hi All, > > I have a data set with experimental phases. I would like to shift > the origin of the phases so that it matches the origin of another > data set and phases, which has different cell constants. Any > suggestion of what tools has the ability to do this? i.e. shift the > origin by (0.0, 0.0, 0.5). Thanks. > > > -- Jianghai > CCP4bb navigationCCP4bb <-- 2008 <-- June 2008 <-- 07 June 2008 |
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