Re: [ccp4bb] Spacegroups, screw axes and ordering

2016-02-01 Thread Graeme Winter
e- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Phil Evans Sent: 31 January 2016 22:45 To: ccp4bb Subject: Re: [ccp4bb] Spacegroups, screw axes and ordering Back to the original question I still fail to see the objection to space groups such as P 21 2 21 - these are consisten

Re: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread CHAVAS Leonard
>>> Sure, but you would need to expand space group X in order to see the >>>>> intermolecular interactions that would have been seen in P1. Also, it is >>>>> often discussed here about how non-crystallographers might use our >>>>> struct

Re: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread Keller, Jacob
t;> structural models deposited in the PDB‎, I doubt that many of them would >> know how to expand. >> >> I am not advocating, just discussing. >> >> Cheers, >> Quyen >> >> Sent from my BlackBerry 10 smartphone. >> From: Keller,

Re: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread CHAVAS Leonard
osited in the PDB‎, I doubt that many of them would >>> know how to expand. >>> >>> I am not advocating, just discussing. >>> >>> Cheers, >>> Quyen >>> >>> Sent from my BlackBerry 10 smartphone. >>> From: Keller

Re: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread CHAVAS Leonard
sing. > > Cheers, > Quyen > > Sent from my BlackBerry 10 smartphone. > From: Keller, Jacob > Sent: Friday, January 29, 2016 2:20 PM > To: Quyen Hoang; CCP4BB@JISCMAIL.AC.UK > Subject: RE: [ccp4bb] Spacegroups, screw axes and ordering > > >I mean, would it not be mo

[ccp4bb] AW: AW: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread Herman . Schreuder
: Freitag, 29. Januar 2016 16:16 An: Schreuder, Herman R&D/DE; CCP4BB@JISCMAIL.AC.UK Betreff: Re: AW: [ccp4bb] Spacegroups, screw axes and ordering Dear Herman, I did not write anything about the question of assigning a spacegroup based on screw axes absences. _Of course_ this is unreliable, but this

[ccp4bb] AW: [ccp4bb] Spacegroups, screw axes and ordering

2016-01-29 Thread Herman . Schreuder
ys use the original mtz file as input for refinement! Best, Herman -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Kay Diederichs Gesendet: Freitag, 29. Januar 2016 13:51 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Spacegroups, scre