[ccp4bb] how to convert matrix to angle

2007-07-07 Thread Jiamu Du
Dear all: I want to calculate the rotation angle between two similar domains. By using Coot, I can superposr the two domain and get the rotation matrix. But how to convert this matrix to an angle. Is there any program can calculate this ? Thanks. -- Jiamu Du State Key Laboratory of Molecular Bio

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Kay Diederichs
Jiamu Du schrieb: Dear all: I want to calculate the rotation angle between two similar domains. By using Coot, I can superposr the two domain and get the rotation matrix. But how to convert this matrix to an angle. Is there any program can calculate this ? Thanks. Jiamu Du, If you have the

[ccp4bb] Kay Diederichs Email

2007-07-07 Thread James Stroud
Hello All, I'm not trying to pick on Kay Diederichs here, but is anyone else having trouble with Kay's email? I am using Mac Mail and it seems to be crashing as a result of his cryptographic signature file. This effect is not isolated as it crashes on both of my intel Macs. I am running O

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Jianghai Zhu
I am using OS X 10.4.10, G4 powerbook. I have no problem with Kay's emails, just got a message with "Unable to verify message signature". Jianghai On Jul 7, 2007, at 12:38 PM, James Stroud wrote: Hello All, I'm not trying to pick on Kay Diederichs here, but is anyone else having trouble

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Douglas L. Theobald
Hey, I have the exact same problem. I haven't been able to read SMIME signed/encrypted emails now for some time (Mail just crashes). It is an intel apple bug of some sort. If you find the email in ~/Library/Mail, you can plain text cut out the sig and read the email. [Ick] This is esp

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Ian Ollmann
When an app crashes, you should be getting a little dialog box with the option to send a problem report of some kind to Apple. Send in the report. This sends in some diagnostic details about Mail.app state when the crash occurred to Apple. Like crash reports are grouped together in a databa

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Douglas L. Theobald
S/MIME signed/encrypted messages started crashing my Mail app long ago, after one of the first updates to 10.4. I probably sent in a couple dozen of those crash reports, with absolutely zilch feedback, and of course I still have the problem. From my end of things, those crash feedbacks ar

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Ian Ollmann
On Jul 7, 2007, at 1:42 PM, Douglas L. Theobald wrote: S/MIME signed/encrypted messages started crashing my Mail app long ago, after one of the first updates to 10.4. I probably sent in a couple dozen of those crash reports, with absolutely zilch feedback, and of course I still have the pr

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread Robert Sweet
You will not get feedback. They do not disappear into a black hole though. Think of it as a write-only drop box on a remote file system. Someone does actually look at those things. There are certain religious analogies which may be even closer to the mark, but I hesitate to go there. Oh, go ah

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread William Scott
It just takes AT&T and the NSA a bit of time to de-encrypt it. Eventually you will wind up on the "Do not Fly" list. Douglas L. Theobald wrote: > S/MIME signed/encrypted messages started crashing my Mail app long > ago, after one of the first updates to 10.4. I probably sent in a > couple dozen

Re: [ccp4bb] Kay Diederichs Email

2007-07-07 Thread James Stroud
On Jul 7, 2007, at 3:09 PM, Robert Sweet wrote: Oh, go ahead. Religious analogies are appropriate for Apple users, aren't they? Well, with the introduction of the iphone, we mac devotees are presently devolving to something more akin to idolatry than actual religion.

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Jiamu Du
Thanks a lot. You are so kind. On 7/7/07, Kay Diederichs <[EMAIL PROTECTED]> wrote: Jiamu Du schrieb: > Dear all: > I want to calculate the rotation angle between two similar domains. By > using Coot, I can superposr the two domain and get the rotation matrix. > But how to convert this matrix

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Das, Debanu
Hi, You can also use LSQKAB in CCP4 to get the angle between two similar domains. -Debanu. -Original Message- From: CCP4 bulletin board on behalf of Kay Diederichs Sent: Sat 7/7/2007 7:30 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] how to convert matrix to angle Jiamu Du schr

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Bernhard Rupp
Not that I want to open a can of worms here... but could someone explain what is meant with 'angle between domains'? Thx, br -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Das, Debanu Sent: Saturday, July 07, 2007 7:51 PM To: CCP4BB@JISCMAIL.AC.UK Sub

[ccp4bb] [FIXED] Kay Diederichs Email

2007-07-07 Thread James Stroud
Hello All (Especially Doug), I spent some time today talking to an apple rep--courtesy of my apple care agreement ($$)--about some other aberrant behaviors of my machine and he suggested the problem was in my NetInfo database and that a rebuild was necessary < http://docs.info.apple.co

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread James Stroud
Knee-jerk answer: The magnitude of the rotation component of the transformation yielded from the optimal least squared superposition of the two domains. Implicit is the ability to generate said least squared superposition. On Jul 7, 2007, at 8:21 PM, Bernhard Rupp wrote: Not that I want t

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Edward Berry
Oh- let me try!! Given two structures each containing the domains A and B, the angle in question is the further angle through which domain B of the second structure must be rotated to superimpose it on domain B of the first structure, after structure 2 has already been rotated to optimally superp

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Das, Debanu
My understanding of it is the following: If there are two or more multi-domain proteins of similar structure/function, etc., and if they have a different orientation of a particular domain, then when you superimpose the two structures, they will not superimpose completely because of the domain

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Jiamu Du
I have found it. Thanks. On 7/8/07, Das, Debanu <[EMAIL PROTECTED]> wrote: Hi, You can also use LSQKAB in CCP4 to get the angle between two similar domains. -Debanu. -Original Message- From: CCP4 bulletin board on behalf of Kay Diederichs Sent: Sat 7/7/2007 7:30 AM To: CCP4BB@JISCMA

[ccp4bb] Multiple conformation of ligand, shelx, refmac5, CNS

2007-07-07 Thread U Sam
Hi I am refining a structure of protein, 2 molecules in the asymmetric unit. I like to know whether it is possible to crystallize two different conformations of a molecule in the same crystal.When I am trying to fit n-octyl-beta-D-glucopyranoside into the density, I see sugar part of the ligand

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread U Sam
In this connection I like to know how symmetry (in degrees and translation) is calculated between two or more molecules in the asymmetric unit (A.U.).Suppose if I download a PDB then I like to know the symmetry axis and center coordinate of symmetry axis between two or more molecules in A.U. Th

Re: [ccp4bb] how to convert matrix to angle

2007-07-07 Thread Das, Debanu
I believe you can use lsqkab and DynDom. Get the direction cosines of the rotation axis w.r.t. the centroid, etc. and also get a graphical representation + some more numbers for angular rotation, etc. -Original Message- From: CCP4 bulletin board on behalf of U Sam Sent: Sat 7/7/2007 9:23

[ccp4bb] study weekend archive

2007-07-07 Thread Bernhard Rupp
Wonder where I might find the older study weekend archives on the CCP4 site... looking for MLPHARE ref Ref: Z.Otwinowski: Daresbury Study Weekend proceedings, 1991 Thx br - Bernhard Rupp 001 (925) 209-7429 +43 (676) 571-0536 [EMAIL PR