Re: [ccp4bb] visualising anis B factors

[Johan Turkenburg]

This reminds me of my days as an undergraduate at Leiden University. I did
a project with RAG de Graaff, and learnt to solve some small molecule
structures. All programs were run on an IBM mainframe that was located in
the central computing services. Input was prepared in fixed format. When I
had finished my structure, and had to produce an ORTEP plot, I put the '1'
that signified the number of copies in the wrong column, and in the morning
I found a sizable roll of plotting paper on my desk, and an upset system
manager, as I had just blown a month's worth of printing budget!


On Wed, 23 Jan 2019 at 22:01, Diana Tomchick <
diana.tomch...@utsouthwestern.edu> wrote:

> ORTEP = Oak Ridge Thermal Ellipsoid Program
>
> Diana
>
> **
> Diana R. Tomchick
> Professor
> Departments of Biophysics and Biochemistry
> UT Southwestern Medical Center
> 5323 Harry Hines Blvd.
> Rm. ND10.214A
> Dallas, TX 75390-8816
> diana.tomch...@utsouthwestern.edu
> (214) 645-6383 (phone)
> (214) 645-6353 (fax)
>
> On Jan 23, 2019, at 3:50 PM, Keller, Jacob 
> wrote:
>
> What’s the story with the funny name—does it have to do with its being
> petro backwards?
>
> JPK
>
> +
> Jacob Pearson Keller
> Research Scientist / Looger Lab
> HHMI Janelia Research Campus
> 19700 Helix Dr, Ashburn, VA 20147
> Desk: (571)209-4000 x3159
> Cell: (301)592-7004
> +
>
> The content of this email is confidential and intended for the recipient
> specified in message only. It is strictly forbidden to share any part of
> this message with any third party, without a written consent of the sender.
> If you received this message by mistake, please reply to this message and
> follow with its deletion, so that we can ensure such a mistake does not
> occur in the future.
>
> *From:* CCP4 bulletin board  *On Behalf Of *Mooers,
> Blaine H.M. (HSC)
> *Sent:* Wednesday, January 23, 2019 4:17 PM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] visualising anis B factors
>
> Dear Eleanor,
>
> Ethan Merritt's rastep program is a sort of color version of ortep.
> It gives beautiful figures.
>
> http://skuld.bmsc.washington.edu/raster3d/html/rastep.html
>
>
> Best regards,
>
> Blaine
>
> Blaine Mooers, Ph.D.
> Associate Professor
> Department of Biochemistry and Molecular Biology
> College of Medicine
> University of Oklahoma Health Sciences Center
> S.L. Young Biomedical Research Center (BRC) Rm. 466
> 975 NE 10th Street, BRC 466
> Oklahoma City, OK 73104-5419
>
> --
>
> *From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Diana
> Tomchick [diana.tomch...@utsouthwestern.edu]
> *Sent:* Wednesday, January 23, 2019 3:01 PM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* [EXTERNAL] Re: [ccp4bb] visualising anis B factors
> Hi Bob,
>
> You might recognize this manual.
>
> Diana
>
> **
> Diana R. Tomchick
> Professor
> Departments of Biophysics and Biochemistry
> UT Southwestern Medical Center
> 5323 Harry Hines Blvd.
> Rm. ND10.214A
> Dallas, TX 75390-8816
> diana.tomch...@utsouthwestern.edu
> (214) 645-6383 (phone)
> (214) 645-6353 (fax)
>
> 
>
> On Jan 23, 2019, at 2:07 PM, Sweet, Robert <
> 27e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk> wrote:
>
> Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge
> National Lab they released a FORTRAN program, ORTEP, that would write
> instructions for a CalComp plotter, not only to make a molecular drawing
> showing thermal ellipsoids, but also to create them IN STEREO! This program
> revolutionized crystallographic publishing, not so much for the ellipsoids,
> but for the easy visualization of ones molecules in three dimensions. It
> seems so easy now.
>
> Bob
>
> 
>   Robert M. Sweet   E-Dress:  sw...@bnl.gov
>   Deputy Director, LSBR: The Life Science and
>Biomedical Technology Research Center at NSLS-II
>   Photon Sciences and Biology Dept
>   Brookhaven Nat'l Lab.
>   Upton, NY  11973 U.S.A.
>   Phones:    631 344 3401  (Office)
>          631 338 7302  (Mobile)
> 
>
> --
> *From:* CCP4 bulletin board  on behalf of Eleanor
> Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
> *Sent:* Wednesday, January 23, 2019 1:46:29 PM
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] visualising anis B factors
>
> Thank you! I st

Re: [ccp4bb] visualising anis B factors

[Edward A. Berry]

(Another idle post to see if we can hit the record)

One assumes the image is an attachment, and won't be included in the reply.
But no, its inline with the text. Easy enough to delete if you notice that,
but less likely to be noticed as the thread gets longer and longer . . .

On 01/23/2019 08:26 PM, Paul Emsley wrote:

I nominate this as the most annoying thread in all of CCP4BB history.

Stop including the image already! Just stop!



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https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1





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Re: [ccp4bb] visualising anis B factors

[Paul Emsley]

I nominate this as the most annoying thread in all of CCP4BB history.

Stop including the image already! Just stop!



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https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

Re: [ccp4bb] visualising anis B factors

[colin.n...@diamond.ac.uk]

Oak Ridge Thermal Ellipsoid Plot
I

From: CCP4 bulletin board  on behalf of Keller, Jacob 

Sent: 23 January 2019 21:50:57
To: ccp4bb
Subject: Re: [ccp4bb] visualising anis B factors

What’s the story with the funny name—does it have to do with its being petro 
backwards?

JPK

+
Jacob Pearson Keller
Research Scientist / Looger Lab
HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
Desk: (571)209-4000 x3159
Cell: (301)592-7004
+

The content of this email is confidential and intended for the recipient 
specified in message only. It is strictly forbidden to share any part of this 
message with any third party, without a written consent of the sender. If you 
received this message by mistake, please reply to this message and follow with 
its deletion, so that we can ensure such a mistake does not occur in the future.

From: CCP4 bulletin board  On Behalf Of Mooers, Blaine 
H.M. (HSC)
Sent: Wednesday, January 23, 2019 4:17 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] visualising anis B factors

Dear Eleanor,

Ethan Merritt's rastep program is a sort of color version of ortep.
It gives beautiful figures.

http://skuld.bmsc.washington.edu/raster3d/html/rastep.html

Best regards,

Blaine

Blaine Mooers, Ph.D.
Associate Professor
Department of Biochemistry and Molecular Biology
College of Medicine
University of Oklahoma Health Sciences Center
S.L. Young Biomedical Research Center (BRC) Rm. 466
975 NE 10th Street, BRC 466
Oklahoma City, OK 73104-5419


From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Diana Tomchick 
[diana.tomch...@utsouthwestern.edu]
Sent: Wednesday, January 23, 2019 3:01 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: [EXTERNAL] Re: [ccp4bb] visualising anis B factors
Hi Bob,

You might recognize this manual.

Diana

**
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
UT Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu>
(214) 645-6383 (phone)
(214) 645-6353 (fax)

[cid:image001.jpg@01D4B33B.CB9307C0]

On Jan 23, 2019, at 2:07 PM, Sweet, Robert 
<27e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk<mailto:27e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk>>
 wrote:

Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge National 
Lab they released a FORTRAN program, ORTEP, that would write instructions for a 
CalComp plotter, not only to make a molecular drawing showing thermal 
ellipsoids, but also to create them IN STEREO! This program revolutionized 
crystallographic publishing, not so much for the ellipsoids, but for the easy 
visualization of ones molecules in three dimensions. It seems so easy now.

Bob


  Robert M. Sweet   E-Dress:  
sw...@bnl.gov<mailto:sw...@bnl.gov>
  Deputy Director, LSBR: The Life Science and
   Biomedical Technology Research Center at NSLS-II
  Photon Sciences and Biology Dept
  Brookhaven Nat'l Lab.
  Upton, NY  11973 U.S.A.
  Phones:631 344 3401  (Office)
 631 338 7302  (Mobile)



From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>> 
on behalf of Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk<mailto:176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>>
Sent: Wednesday, January 23, 2019 1:46:29 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: Re: [ccp4bb] visualising anis B factors

Thank you! I still love the BB
Eleanor

On Wed, 23 Jan 2019 at 16:24, Christian Roth 
mailto:christianroth...@gmail.com>> wrote:
In ccp4mg it is the representation tab --> Thermal ellipsoids



On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo 
mailto:oliviero.car...@univie.ac.at>> wrote:
You might be interested in Chimera too (--> Tools --> Structure Analysis
--> Thermal ellipsoids)




On 23.01.2019 16:17, Eleanor Dodson wrote:
> Is there any easy way to do this?
>
> Coot? ccp4mg?
>
> Eleanor Dodson
>
> -
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1<https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1=DwMFAg=VjzId-SM5S6aVB_cCGQ0d3uo9UfKByQ3sI6Audoy6dY=k0gMbcsdOcdbPUNV5tW66KQSZfXL0ewVDPVBp7tqbks=qYbNjgMNEXXJnRyAUSsbJdcvilCpxXvVQO6rwls6Bm4=dI-dP0Zkve0uiWEn3o04VcZinDN49VqmtKv3vK015zA=>



To unsubscribe from the CCP4BB list, click th

Re: [ccp4bb] visualising anis B factors

[Diana Tomchick]

ORTEP = Oak Ridge Thermal Ellipsoid Program

Diana

**
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
UT Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu>
(214) 645-6383 (phone)
(214) 645-6353 (fax)

On Jan 23, 2019, at 3:50 PM, Keller, Jacob 
mailto:kell...@janelia.hhmi.org>> wrote:

What’s the story with the funny name—does it have to do with its being petro 
backwards?

JPK

+
Jacob Pearson Keller
Research Scientist / Looger Lab
HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
Desk: (571)209-4000 x3159
Cell: (301)592-7004
+

The content of this email is confidential and intended for the recipient 
specified in message only. It is strictly forbidden to share any part of this 
message with any third party, without a written consent of the sender. If you 
received this message by mistake, please reply to this message and follow with 
its deletion, so that we can ensure such a mistake does not occur in the future.

From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>> 
On Behalf Of Mooers, Blaine H.M. (HSC)
Sent: Wednesday, January 23, 2019 4:17 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: Re: [ccp4bb] visualising anis B factors

Dear Eleanor,

Ethan Merritt's rastep program is a sort of color version of ortep.
It gives beautiful figures.

http://skuld.bmsc.washington.edu/raster3d/html/rastep.html

Best regards,

Blaine

Blaine Mooers, Ph.D.
Associate Professor
Department of Biochemistry and Molecular Biology
College of Medicine
University of Oklahoma Health Sciences Center
S.L. Young Biomedical Research Center (BRC) Rm. 466
975 NE 10th Street, BRC 466
Oklahoma City, OK 73104-5419


From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] 
on behalf of Diana Tomchick 
[diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu>]
Sent: Wednesday, January 23, 2019 3:01 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: [EXTERNAL] Re: [ccp4bb] visualising anis B factors
Hi Bob,

You might recognize this manual.

Diana

**
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
UT Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu>
(214) 645-6383 (phone)
(214) 645-6353 (fax)



On Jan 23, 2019, at 2:07 PM, Sweet, Robert 
<27e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk<mailto:27e0eb9d20ec-dmarc-requ...@jiscmail.ac.uk>>
 wrote:

Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge National 
Lab they released a FORTRAN program, ORTEP, that would write instructions for a 
CalComp plotter, not only to make a molecular drawing showing thermal 
ellipsoids, but also to create them IN STEREO! This program revolutionized 
crystallographic publishing, not so much for the ellipsoids, but for the easy 
visualization of ones molecules in three dimensions. It seems so easy now.

Bob


  Robert M. Sweet   E-Dress:  
sw...@bnl.gov<mailto:sw...@bnl.gov>
  Deputy Director, LSBR: The Life Science and
   Biomedical Technology Research Center at NSLS-II
  Photon Sciences and Biology Dept
  Brookhaven Nat'l Lab.
  Upton, NY  11973 U.S.A.
  Phones:631 344 3401  (Office)
 631 338 7302  (Mobile)



From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>> 
on behalf of Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk<mailto:176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>>
Sent: Wednesday, January 23, 2019 1:46:29 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Subject: Re: [ccp4bb] visualising anis B factors

Thank you! I still love the BB
Eleanor

On Wed, 23 Jan 2019 at 16:24, Christian Roth 
mailto:christianroth...@gmail.com>> wrote:
In ccp4mg it is the representation tab --> Thermal ellipsoids



On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo 
mailto:oliviero.car...@univie.ac.at>> wrote:
You might be interested in Chimera too (--> Tools --> Structure Analysis
--> Thermal ellipsoids)




On 23.01.2019 16:17, Eleanor Dodson wrote:
> Is there any easy way to do this?
>
> Coot? ccp4mg?
>
> Eleanor Dodson
>
> -
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1<https://urldefense.p

Re: [ccp4bb] visualising anis B factors

[Tim Gruene]

Dear Rob,

the commonly used term 'Ortep plot' and the respective entry in the Platon GUI 
make sure that at least the name of the program is not forgotten.

Best,
Tim

On Wednesday, January 23, 2019 9:07:36 PM CET Sweet, Robert wrote:
> Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge
> National Lab they released a FORTRAN program, ORTEP, that would write
> instructions for a CalComp plotter, not only to make a molecular drawing
> showing thermal ellipsoids, but also to create them IN STEREO! This program
> revolutionized crystallographic publishing, not so much for the ellipsoids,
> but for the easy visualization of ones molecules in three dimensions. It
> seems so easy now.
> 
> 
> Bob
> 
> 
> 
>   Robert M. Sweet   E-Dress:  sw...@bnl.gov
>   Deputy Director, LSBR: The Life Science and
>Biomedical Technology Research Center at NSLS-II
>   Photon Sciences and Biology Dept
>   Brookhaven Nat'l Lab.
>   Upton, NY  11973 U.S.A.
>   Phones:631 344 3401  (Office)
>  631 338 7302  (Mobile)
> 
> 
> 
> 
> From: CCP4 bulletin board  on behalf of Eleanor
> Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> Sent: Wednesday,
> January 23, 2019 1:46:29 PM
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] visualising anis B factors
> 
> Thank you! I still love the BB
> Eleanor
> 
> On Wed, 23 Jan 2019 at 16:24, Christian Roth
> mailto:christianroth...@gmail.com>> wrote: In
> ccp4mg it is the representation tab --> Thermal ellipsoids
> 
> 
> 
> On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo
> mailto:oliviero.car...@univie.ac.at>> wrote:
> You might be interested in Chimera too (--> Tools --> Structure Analysis
> --> Thermal ellipsoids)
> 
> On 23.01.2019 16:17, Eleanor Dodson wrote:
> > Is there any easy way to do this?
> > 
> > Coot? ccp4mg?
> > 
> > Eleanor Dodson
> > 
> > -
> > 
> > To unsubscribe from the CCP4BB list, click the following link:
> > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
> 
> 
> 
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
> 
> 
> 
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
> 
> 
> 
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

-- 
--
Tim Gruene
des. Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Email: tba
Phone: tba

GPG Key ID = A46BEE1A



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signature.asc
Description: This is a digitally signed message part.

Re: [ccp4bb] visualising anis B factors

[Sweet, Robert]

Please remember Carrol Johnson and colleagues. In 1965 from Oak Ridge National 
Lab they released a FORTRAN program, ORTEP, that would write instructions for a 
CalComp plotter, not only to make a molecular drawing showing thermal 
ellipsoids, but also to create them IN STEREO! This program revolutionized 
crystallographic publishing, not so much for the ellipsoids, but for the easy 
visualization of ones molecules in three dimensions. It seems so easy now.


Bob



  Robert M. Sweet   E-Dress:  sw...@bnl.gov
  Deputy Director, LSBR: The Life Science and
   Biomedical Technology Research Center at NSLS-II
  Photon Sciences and Biology Dept
  Brookhaven Nat'l Lab.
  Upton, NY  11973 U.S.A.
  Phones:631 344 3401  (Office)
 631 338 7302  (Mobile)




From: CCP4 bulletin board  on behalf of Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
Sent: Wednesday, January 23, 2019 1:46:29 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] visualising anis B factors

Thank you! I still love the BB
Eleanor

On Wed, 23 Jan 2019 at 16:24, Christian Roth 
mailto:christianroth...@gmail.com>> wrote:
In ccp4mg it is the representation tab --> Thermal ellipsoids



On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo 
mailto:oliviero.car...@univie.ac.at>> wrote:
You might be interested in Chimera too (--> Tools --> Structure Analysis
--> Thermal ellipsoids)




On 23.01.2019 16:17, Eleanor Dodson wrote:
> Is there any easy way to do this?
>
> Coot? ccp4mg?
>
> Eleanor Dodson
>
> -
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1



To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1



To unsubscribe from the CCP4BB list, click the following link:
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To unsubscribe from the CCP4BB list, click the following link:
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Re: [ccp4bb] visualising anis B factors

[Eleanor Dodson]

Thank you! I still love the BB
Eleanor

On Wed, 23 Jan 2019 at 16:24, Christian Roth 
wrote:

> In ccp4mg it is the representation tab --> Thermal ellipsoids
>
>
>
> On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo <
> oliviero.car...@univie.ac.at> wrote:
>
>> You might be interested in Chimera too (--> Tools --> Structure Analysis
>> --> Thermal ellipsoids)
>>
>>
>>
>>
>> On 23.01.2019 16:17, Eleanor Dodson wrote:
>> > Is there any easy way to do this?
>> >
>> > Coot? ccp4mg?
>> >
>> > Eleanor Dodson
>> >
>> > -
>> >
>> > To unsubscribe from the CCP4BB list, click the following link:
>> > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>>
>> 
>>
>> To unsubscribe from the CCP4BB list, click the following link:
>> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>>
>



To unsubscribe from the CCP4BB list, click the following link:
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Re: [ccp4bb] visualising anis B factors

[Christian Roth]

In ccp4mg it is the representation tab --> Thermal ellipsoids



On Wed, Jan 23, 2019 at 4:51 PM Oliviero Carugo <
oliviero.car...@univie.ac.at> wrote:

> You might be interested in Chimera too (--> Tools --> Structure Analysis
> --> Thermal ellipsoids)
>
>
>
>
> On 23.01.2019 16:17, Eleanor Dodson wrote:
> > Is there any easy way to do this?
> >
> > Coot? ccp4mg?
> >
> > Eleanor Dodson
> >
> > -
> >
> > To unsubscribe from the CCP4BB list, click the following link:
> > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>
> 
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
>



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Re: [ccp4bb] visualising anis B factors

[Oliviero Carugo]

You might be interested in Chimera too (--> Tools --> Structure Analysis 
--> Thermal ellipsoids)





On 23.01.2019 16:17, Eleanor Dodson wrote:

Is there any easy way to do this?

Coot? ccp4mg?

Eleanor Dodson

-

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1




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Re: [ccp4bb] visualising anis B factors

[Pearce, N.M. (Nick)]

in pymol you can just type “as ellipsoids”.

On 23 Jan 2019, at 16:17, Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
 wrote:

Is there any easy way to do this?

Coot? ccp4mg?

Eleanor Dodson



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Re: [ccp4bb] visualising anis B factors

[Tim Gruene]

Dear Eleanor,

in Coot, this is four clicks away from the main menu:
Draw ->Anisotropic Atoms->'Yes'->Apply

Best,
Tim

 On Wednesday, January 23, 2019 4:17:27 PM CET Eleanor Dodson wrote:
> Is there any easy way to do this?
> 
> Coot? ccp4mg?
> 
> Eleanor Dodson
> 
> 
> 
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-- 
--
Tim Gruene
des. Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Email: tba
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Re: [ccp4bb] visualising anis B factors

[Randy Read]

Hi Eleanor,

It’s easy in coot.  Load in the PDB with ANISOU records, then select Draw -> 
Anisotropic atoms… -> tick box labelled “Show Anisotropic Atoms”!

Best wishes,

Randy

-
Randy J. Read
Department of Haematology, University of Cambridge
Cambridge Institute for Medical ResearchTel: +44 1223 336500
Wellcome Trust/MRC Building Fax: +44 1223 336827
Hills RoadE-mail: 
rj...@cam.ac.uk
Cambridge CB2 0XY, U.K.   
www-structmed.cimr.cam.ac.uk

> On 23 Jan 2019, at 15:17, Eleanor Dodson 
> <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote:
> 
> Is there any easy way to do this?
> 
> Coot? ccp4mg?
> 
> Eleanor Dodson
> 
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
> 



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Re: [ccp4bb] visualising anis B factors

[graeme.win...@diamond.ac.uk]

Hi Eleanor,


This is pretty routine in chemical crystallography using e.g. Olex2 or similar 
- they use thermal ellipsoids to represent the anisotropic B parameters.


I am guessing though that for any non-trivially sized protein this would be 
quite a computational challenge?


best wishes Graeme


From: CCP4 bulletin board  on behalf of Eleanor Dodson 
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
Sent: 23 January 2019 15:17:27
To: ccp4bb
Subject: [ccp4bb] visualising anis B factors

Is there any easy way to do this?

Coot? ccp4mg?

Eleanor Dodson



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