Re: [ccp4bb] Obtaining relationships between two cross rotation solutions?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: putting in methionines for SeMet crystals
From: Charlie Bond Charles {- dot -} Bond {- at -} UWA {- dot -} EDU {- dot -} AU
Date: 2009-02-03

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Subject: Re: Obtaining relationships between two cross rotation solutions?
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2009-02-04

Subject: Re: Obtaining relationships between two cross rotation solutions?
From: Doug Ohlendorf ohlen {- at -} UMN {- dot -} EDU
Date: 2009-02-03

If you can calculate the transformation between the 2, the rotation (kappa)
that relates them is found using the formula:

2 cosine (kappa) + 1 = Trace (transformation)

where Trace = sum of diagonal elements.

Doug

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of James
Stroud
Sent: Tuesday, February 03, 2009 3:57 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Obtaining relationships between two cross rotation
solutions?

I forgot to mention that I think the only fail-safe direct approach
will involve converting both rotations into quaternions,
"subtracting" (inv(A)*B) said quaternions, then converting the
difference into an axis-angle pair.

James

On Feb 3, 2009, at 9:47 AM, Francis E Reyes wrote:

> I have trouble with visualizing things in three dimensions so I'm
> trying to figure out the relationship between two cross rotation
> functions (given as theta1, theta2, theta3).
>
>
> Is there a program or webapp that'll tell me whether two rotation
> solutions are related by a 180/90/60/whathaveyou axis?
>
> e.g.
>
> The space group is P4(1)
> The top few cross rotation solutions are:
> ! index, theta1, theta2, theta3, RF-function (EPSIlon= 0.25)
> 1 173.333 2.630 186.481 0.0907
> 3 353.426 180.000 353.426 0.0879
> 7 98.807 147.925 67.347 0.0608
> 8 279.440 30.322 292.587 0.0602
> 10 292.696 168.784 294.156 0.0562
> 12 233.216 30.322 246.364 0.0511
>
>
> Is index 1,3 related how about 7,8?? What is the relationship
> between the pair 1,3 and 7,8 ?
>
> Thanks
>
> FR
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: putting in methionines for SeMet crystals
From: Charlie Bond Charles {- dot -} Bond {- at -} UWA {- dot -} EDU {- dot -} AU
Date: 2009-02-03

Next message:
Subject: Re: Obtaining relationships between two cross rotation solutions?
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2009-02-04