Especially Frank.. Of course the grumble does not mean either deposition is "wrong" - both are completely valid.. However at deposition there are certain tidying functions which may help people who want to use the structures.
I absolutely agree with Zbysek (as always!) - it helps if structures are moved close to origin.There is nothing wrong with symmetry links at 1.5-x ,-1/2+y, -2-z but it is neater if the links were between 1/2-x,1/2+y, -z ; - which is more likely if the original deposition was in an asymmetric unit near the origin.. And as Eugene said; they doubtless solved both structures by MR, instead of starting refinement of the isomorphous structure 2 from the coordinates of structure 1. No real problem - just a grumble! Eleanor On Sun, 10 Nov 2019 at 17:08, Martin Noble <martin.no...@newcastle.ac.uk> wrote: > So does the CCP4 program csymmatch > Best wishes, > Martin > > > On 10 Nov 2019, at 16:55, R. D. Oeffner <rd...@cam.ac.uk> wrote: > > The program phenix.famos (or phenix.find_alt_orig_sym_mate) does exactly > that for a pair of pdb files. > > Robert > > *From:* Eugene Osipov > *Sent:* Sunday, November 10, 2019 11:49 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] A grumble > By the way, may be someone has a script to move several isomorphous > structures to the same origin and rename chains according to reference > structure? > > > пт, 8 нояб. 2019 г. в 14:02, Eleanor Dodson < > 0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>: > >> I have just downloaded two isomorphous coordinates from the pdb >> 5arb and 5arc deposited by the same team >> >> >> Tried to compare and they are on different origins. >> >> I know it doesnt affect the crystallography >> It is easily corrected >> >> BUT it seems bad practice to me >> >> Eleanor >> >> >> >> ------------------------------ >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> > > > -- > Evgenii Osipov > Laboratory for Biocrystallography, > Department of Pharmaceutical Sciences, > KU Leuven O&N2 > > ------------------------------ > 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 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
