Sorry to plug MOLREP to a Phaser Q, but it does have some simple tNCS functions which work well for straightforward cases.
Something to consider: tNCS can make spacegroup determination based on axial reflection absences tricky so set a flag to test all SGS in the pointgroup. For example: (A translation vector of (x,y,1/4) will mean that only reflections (0,0,l) will be strong for l having a factor of 4 , ie 4,8,12,16,..) And R factors are typivally higher for crystals with tNCS -- extensive classes of reflections are weak.. Eleanor On Thu, 14 Mar 2019 at 13:48, Randy Read <[email protected]> wrote: > Dear Almu, > > We have a discussion on the Phaser Wiki about some of the possibilities > for tNCS, what you should look for, and what Phaser can handle: > http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#Translational_Non-crystallographic_Symmetry. > As it explains, if you have one major peak in the native Patterson then > everything will be pretty automatic, and it can even be straightforward if > you have several peaks corresponding to multiples of the same underlying > translation. If you have some specific questions about your problem after > you’ve read that and run Phaser on your problem, then let us know! > > Best wishes, > > Randy > > ----- > Randy J. Read > Department of Haematology, University of Cambridge > Cambridge Institute for Medical Research Tel: +44 1223 336500 > Wellcome Trust/MRC Building Fax: +44 1223 336827 > Hills Road > E-mail: [email protected] > Cambridge CB2 0XY, U.K. > www-structmed.cimr.cam.ac.uk > > > On 14 Mar 2019, at 05:07, Almudena Ponce Salvatierra < > [email protected]> wrote: > > > > Dear all, > > > > I have a dataset with strong TNCS and I would like to know if there are > a "series of steps" that I could follow in order to find out whether I can > solve my structure or not. > > > > I see on the Phaser wiki that structure determination in the presence of > TNCS is not fully automated. which steps are those in which my intervention > should be needed and what do I look for? > > > > It is the first time that I deal with this problem and I'd be immensely > thankful if I could get some hints from those of you who have encountered > it in the past or understand where in particular I should keep and eye on :) > > > > All the best, > > > > cheers, > > > > Almu > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
