Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-09 Thread Sean Law
Hi Darrell,
Thanks for the suggestion.
To make a long story short, we're publishing a new a method to assign secondary 
structure elements (SSE) solely from the C-alpha atoms (with ~95% accuracy 
relative to DSSP). We've compared this to backbone reconstruction schemes and 
the time to rebuild the backbone atoms is simply too time consuming (about an 
order of magnitude). In fact, the BBQ method claims to be fast but, based on 
my estimates, it's actually about twice as slow as the optimized rebuild 
program (when optimized to only rebuild the backbone atoms using basic 
geometry) from the MMTSB Tool Set by Michael Feig et al. Anyhow, my 
collaborator wanted to write a PyMOL plugin which will assign the SSEs using 
our program (for each state) and then display them nicely in PyMOL. This 
doesn't seem to be possible in PyMOL without reconstructing the backbone atoms. 
Yes, we can color each SSE accordingly but I was hoping that there was a better 
solution.
Best,
Sean

 From: darre...@niaid.nih.gov
 To: magic...@hotmail.com; jared.samp...@nyumc.org
 CC: pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
 Date: Wed, 4 Jun 2014 21:18:27 +
 
 Hi Sean,
 
 If you're doing this for illustrative purposes, why not just build the 
 inferred backbone? You could use BBQ, among many others:
 
 http://biocomp.chem.uw.edu.pl/tools/bbq
 
 FWIW,
 Darrell
 
 --
 Darrell Hurt, Ph.D.
 Section Head, Computational Biology
 Bioinformatics and Computational Biosciences Branch (BCBB)
 OCICB/OSMO/OD/NIAID/NIH
 
 31 Center Drive, Room 3B62B, MSC 2135
 Bethesda, MD 20892-2135
 Office: 301-402-0095
 Mobile: 301-758-3559
 Web: BCBB Home 
 Pagehttp://www.niaid.nih.gov/about/organization/odoffices/omo/ocicb/Pages/bcbb.aspx#niaid_inlineNav_Anchor
 Twitter: @niaidbioithttps://twitter.com/niaidbioit
 
 Disclaimer: The information in this e-mail and any of its attachments is 
 confidential and may contain sensitive information. It should not be used by 
 anyone who is not the original intended recipient. If you have received this 
 e-mail in error please inform the sender and delete it from your mailbox or 
 any other storage devices. National Institute of Allergy and Infectious 
 Diseases shall not accept liability for any statements made that are sender's 
 own and not expressly made on behalf of the NIAID by one of its 
 representatives.
 
 From: Sean Law magic...@hotmail.commailto:magic...@hotmail.com
 Date: Wednesday, June 4, 2014 4:17 PM
 To: Sampson, Jared jared.samp...@nyumc.orgmailto:jared.samp...@nyumc.org
 Cc: 
 pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net 
 pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
 
 Jared,
 
 For now, we are using different colors to indicate the SS assignments but 
 it's not pretty. We would prefer to show the SS for both sheets and helices.
 
 Can you elaborate on what you mean by radially symmetric. Are there other 
 cartoon modes where I would be able to get both helices and sheets after 
 altering the residue's SS assignment by hand? I see what you mean by not 
 being able to define the flat plane though.
 
 Best,
 
 Sean
 
 
 From: jared.samp...@nyumc.orgmailto:jared.samp...@nyumc.org
 To: magic...@hotmail.commailto:magic...@hotmail.com
 CC: 
 pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
 Date: Wed, 4 Jun 2014 20:03:54 +
 
 Hi Sean -
 
 I can confirm this behavior, but I’m not sure it’s unintentional on PyMOL’s 
 part.  Rather, I think it may have something to do with two facts: 1) unlike 
 loops, sheets represented in automatic mode are not radially symmetric; and 
 2) unlike helices, the orientation of the sheet at a particular CA atom 
 cannot be determined by its immediate neighbors.  I haven’t had a chance to 
 look at the relevant source, so I can’t confirm this at the moment, but it 
 seems likely to me that PyMOL uses the other (non-CA) backbone atoms to 
 define the “flat” plane of a sheet, and without this information, instead of 
 guessing at its orientation, it omits the sheet entirely.  (This also appears 
 to be the case for other non-radially symmetric modes, including dumbbell, 
 rectangle, and oval.)
 
 Could you get by using different colors to indicate your SS assignments in 
 another cartoon mode?
 
 Cheers,
 Jared
 
 Jared Sampson
 Xiangpeng Kong Lab
 NYU Langone Medical Center
 http://kong.med.nyu.edu/
 
 
 
 
 
 
 On Jun 4, 2014, at 1:50 PM, Sean Law 
 magic...@hotmail.commailto:magic...@hotmail.com wrote:
 
 Hi PyMOLers,
 
 I have a c-alpha only model and I would like to visualize both helices and 
 sheets based on my own custom SS assignments (via alter). Altering a 
 residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can 
 be visualized. However

[PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Sean Law
Hi PyMOLers,
I have a c-alpha only model and I would like to visualize both helices and 
sheets based on my own custom SS assignments (via alter). Altering a 
residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can be 
visualized. However, altering a residue's SS assignment to sheet (ss=S) 
causes that residue to disappear. Again, this is c-alpha only and I am 
visualizing in cartoon automatic mode.
Any suggestions for visualizing the sheets in this case would be greatly 
appreciated.
Best,
Sean  --
Learn Graph Databases - Download FREE O'Reilly Book
Graph Databases is the definitive new guide to graph databases and their 
applications. Written by three acclaimed leaders in the field, 
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech___
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Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Sampson, Jared
Hi Sean -

I can confirm this behavior, but I’m not sure it’s unintentional on PyMOL’s 
part.  Rather, I think it may have something to do with two facts: 1) unlike 
loops, sheets represented in automatic mode are not radially symmetric; and 2) 
unlike helices, the orientation of the sheet at a particular CA atom cannot be 
determined by its immediate neighbors.  I haven’t had a chance to look at the 
relevant source, so I can’t confirm this at the moment, but it seems likely to 
me that PyMOL uses the other (non-CA) backbone atoms to define the “flat” plane 
of a sheet, and without this information, instead of guessing at its 
orientation, it omits the sheet entirely.  (This also appears to be the case 
for other non-radially symmetric modes, including dumbbell, rectangle, and 
oval.)

Could you get by using different colors to indicate your SS assignments in 
another cartoon mode?

Cheers,
Jared

Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/






On Jun 4, 2014, at 1:50 PM, Sean Law 
magic...@hotmail.commailto:magic...@hotmail.com wrote:

Hi PyMOLers,

I have a c-alpha only model and I would like to visualize both helices and 
sheets based on my own custom SS assignments (via alter). Altering a 
residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can be 
visualized. However, altering a residue's SS assignment to sheet (ss=S) 
causes that residue to disappear. Again, this is c-alpha only and I am 
visualizing in cartoon automatic mode.

Any suggestions for visualizing the sheets in this case would be greatly 
appreciated.

Best,

Sean
--
Learn Graph Databases - Download FREE O'Reilly Book
Graph Databases is the definitive new guide to graph databases and their
applications. Written by three acclaimed leaders in the field,
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech___
PyMOL-users mailing list 
(PyMOL-users@lists.sourceforge.netmailto:PyMOL-users@lists.sourceforge.net)
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applications. Written by three acclaimed leaders in the field, 
this first edition is now available. Download your free book today!
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Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Sean Law
Jared,
For now, we are using different colors to indicate the SS assignments but it's 
not pretty. We would prefer to show the SS for both sheets and helices.
Can you elaborate on what you mean by radially symmetric. Are there other 
cartoon modes where I would be able to get both helices and sheets after 
altering the residue's SS assignment by hand? I see what you mean by not being 
able to define the flat plane though.
Best,
Sean

From: jared.samp...@nyumc.org
To: magic...@hotmail.com
CC: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
Date: Wed, 4 Jun 2014 20:03:54 +






Hi Sean - 






I can confirm this behavior, but I’m not sure it’s unintentional on PyMOL’s 
part.  Rather, I think it may have something to do with two facts: 1) unlike 
loops, sheets represented in automatic mode are not radially symmetric; and 2) 
unlike helices, the orientation
 of the sheet at a particular CA atom cannot be determined by its immediate 
neighbors.  I haven’t had a chance to look at the relevant source, so I can’t 
confirm this at the moment, but it seems likely to me that PyMOL uses the other 
(non-CA) backbone atoms
 to define the “flat” plane of a sheet, and without this information, instead 
of guessing at its orientation, it omits the sheet entirely.  (This also 
appears to be the case for other non-radially symmetric modes, including 
dumbbell, rectangle, and oval.)





Could you get by using different colors to indicate your SS assignments in 
another cartoon mode?





Cheers,

Jared



Jared Sampson

Xiangpeng Kong Lab

NYU Langone Medical Center

http://kong.med.nyu.edu/
















On Jun 4, 2014, at 1:50 PM, Sean Law magic...@hotmail.com wrote:




Hi PyMOLers,



I have a c-alpha only model and I would like to visualize both helices and 
sheets based on my own custom SS assignments (via alter). Altering a 
residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can be 
visualized. However, altering
 a residue's SS assignment to sheet (ss=S) causes that residue to disappear. 
Again, this is c-alpha only and I am visualizing in cartoon automatic mode.



Any suggestions for visualizing the sheets in this case would be greatly 
appreciated.



Best,



Sean

--

Learn Graph Databases - Download FREE O'Reilly Book

Graph Databases is the definitive new guide to graph databases and their 

applications. Written by three acclaimed leaders in the field, 

this first edition is now available. Download your free book today!

http://p.sf.net/sfu/NeoTech___

PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)

Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users

Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net










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Graph Databases is the definitive new guide to graph databases and their 
applications. Written by three acclaimed leaders in the field, 
this first edition is now available. Download your free book today!
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Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Tsjerk Wassenaar
Hi Sean,

Maybe this is useful:

http://sourceforge.net/p/pymol/mailman/message/31618301/

Cheers,

Tsjerk



On Wed, Jun 4, 2014 at 10:17 PM, Sean Law magic...@hotmail.com wrote:

 Jared,

 For now, we are using different colors to indicate the SS assignments but
 it's not pretty. We would prefer to show the SS for both sheets and helices.

 Can you elaborate on what you mean by radially symmetric. Are there
 other cartoon modes where I would be able to get both helices and sheets
 after altering the residue's SS assignment by hand? I see what you mean by
 not being able to define the flat plane though.

 Best,

 Sean

 --
 From: jared.samp...@nyumc.org
 To: magic...@hotmail.com
 CC: pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
 Date: Wed, 4 Jun 2014 20:03:54 +


 Hi Sean -

   I can confirm this behavior, but I’m not sure it’s unintentional on
 PyMOL’s part.  Rather, I think it may have something to do with two facts:
 1) unlike loops, sheets represented in automatic mode are not radially
 symmetric; and 2) unlike helices, the orientation of the sheet at a
 particular CA atom cannot be determined by its immediate neighbors.  I
 haven’t had a chance to look at the relevant source, so I can’t confirm
 this at the moment, but it seems likely to me that PyMOL uses the other
 (non-CA) backbone atoms to define the “flat” plane of a sheet, and without
 this information, instead of guessing at its orientation, it omits the
 sheet entirely.  (This also appears to be the case for other non-radially
 symmetric modes, including dumbbell, rectangle, and oval.)

  Could you get by using different colors to indicate your SS assignments
 in another cartoon mode?

  Cheers,
  Jared

 Jared Sampson
 Xiangpeng Kong Lab
 NYU Langone Medical Center
 http://kong.med.nyu.edu/






  On Jun 4, 2014, at 1:50 PM, Sean Law magic...@hotmail.com wrote:

   Hi PyMOLers,

  I have a c-alpha only model and I would like to visualize both helices
 and sheets based on my own custom SS assignments (via alter). Altering a
 residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can
 be visualized. However, altering a residue's SS assignment to sheet
 (ss=S) causes that residue to disappear. Again, this is c-alpha only and
 I am visualizing in cartoon automatic mode.

  Any suggestions for visualizing the sheets in this case would be greatly
 appreciated.

  Best,

  Sean

 --
 Learn Graph Databases - Download FREE O'Reilly Book
 Graph Databases is the definitive new guide to graph databases and their

 applications. Written by three acclaimed leaders in the field,
 this first edition is now available. Download your free book today!
 http://p.sf.net/sfu/NeoTech___
 PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
 Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
 Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net


  
 This email message, including any attachments, is for the sole use of the
 intended recipient(s) and may contain information that is proprietary,
 confidential, and exempt from disclosure under applicable law. Any
 unauthorized review, use, disclosure, or distribution is prohibited. If you
 have received this email in error please notify the sender by return email
 and delete the original message. Please note, the recipient should check
 this email and any attachments for the presence of viruses. The
 organization accepts no liability for any damage caused by any virus
 transmitted by this email.
 =


 --
 Learn Graph Databases - Download FREE O'Reilly Book
 Graph Databases is the definitive new guide to graph databases and their
 applications. Written by three acclaimed leaders in the field,
 this first edition is now available. Download your free book today!
 http://p.sf.net/sfu/NeoTech
 ___
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 Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
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-- 
Tsjerk A. Wassenaar, Ph.D.
--
Learn Graph Databases - Download FREE O'Reilly Book
Graph Databases is the definitive new guide to graph databases and their 
applications. Written by three acclaimed leaders in the field, 
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech___
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Info Page: https://lists.sourceforge.net/lists/listinfo

Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Sampson, Jared
Hi Sean -

By “radially symmetric” I mean that a particular representation (e.g. anything 
in cartoon tube or putty modes, or loops in automatic mode) is drawn as a 
series of truncated cylinders or cones, so for PyMOL to draw them, basically 
all it needs for each short section are two end points and a radius (or start 
and end radii, in the case of the cones).  If you zoom in really close, you can 
actually see the boundaries between individual sections.

This differs from sheets in automatic, oval, rectangle, and dumbbell modes, 
because those require extra information to define the orientation of the 
“width” and “height” dimensions of the section with respect to the “length” 
axis (the one along the trace of the cartoon).

Hope that helps.

Cheers,
Jared

--
Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/






On Jun 4, 2014, at 4:17 PM, Sean Law 
magic...@hotmail.commailto:magic...@hotmail.com wrote:

Jared,

For now, we are using different colors to indicate the SS assignments but it's 
not pretty. We would prefer to show the SS for both sheets and helices.

Can you elaborate on what you mean by radially symmetric. Are there other 
cartoon modes where I would be able to get both helices and sheets after 
altering the residue's SS assignment by hand? I see what you mean by not being 
able to define the flat plane though.

Best,

Sean


From: jared.samp...@nyumc.orgmailto:jared.samp...@nyumc.org
To: magic...@hotmail.commailto:magic...@hotmail.com
CC: pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
Date: Wed, 4 Jun 2014 20:03:54 +

Hi Sean -

I can confirm this behavior, but I’m not sure it’s unintentional on PyMOL’s 
part.  Rather, I think it may have something to do with two facts: 1) unlike 
loops, sheets represented in automatic mode are not radially symmetric; and 2) 
unlike helices, the orientation of the sheet at a particular CA atom cannot be 
determined by its immediate neighbors.  I haven’t had a chance to look at the 
relevant source, so I can’t confirm this at the moment, but it seems likely to 
me that PyMOL uses the other (non-CA) backbone atoms to define the “flat” plane 
of a sheet, and without this information, instead of guessing at its 
orientation, it omits the sheet entirely.  (This also appears to be the case 
for other non-radially symmetric modes, including dumbbell, rectangle, and 
oval.)

Could you get by using different colors to indicate your SS assignments in 
another cartoon mode?

Cheers,
Jared

Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/






On Jun 4, 2014, at 1:50 PM, Sean Law 
magic...@hotmail.commailto:magic...@hotmail.com wrote:

Hi PyMOLers,

I have a c-alpha only model and I would like to visualize both helices and 
sheets based on my own custom SS assignments (via alter). Altering a 
residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can be 
visualized. However, altering a residue's SS assignment to sheet (ss=S) 
causes that residue to disappear. Again, this is c-alpha only and I am 
visualizing in cartoon automatic mode.

Any suggestions for visualizing the sheets in this case would be greatly 
appreciated.

Best,

Sean
--
Learn Graph Databases - Download FREE O'Reilly Book
Graph Databases is the definitive new guide to graph databases and their
applications. Written by three acclaimed leaders in the field,
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech___
PyMOL-users mailing list 
(PyMOL-users@lists.sourceforge.netmailto:PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: 
http://www.mail-archive.com/pymol-users@lists.sourceforge.nethttp://www.mail-archive.com/pymol-users%40lists.sourceforge.net


This email message, including any attachments, is for the sole use of the 
intended recipient(s) and may contain information that is proprietary, 
confidential, and exempt from disclosure under applicable law. Any unauthorized 
review, use, disclosure, or distribution is prohibited. If you have received 
this email in error please notify the sender by return email and delete the 
original message. Please note, the recipient should check this email and any 
attachments for the presence of viruses. The organization accepts no liability 
for any damage caused by any virus transmitted by this email.
=


This email message, including any attachments, is for the sole use of the 
intended recipient(s) and may contain information that is proprietary, 
confidential, and exempt

Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-04 Thread Hurt, Darrell (NIH/NIAID) [E]
Hi Sean,

If you're doing this for illustrative purposes, why not just build the inferred 
backbone? You could use BBQ, among many others:

http://biocomp.chem.uw.edu.pl/tools/bbq

FWIW,
Darrell

--
Darrell Hurt, Ph.D.
Section Head, Computational Biology
Bioinformatics and Computational Biosciences Branch (BCBB)
OCICB/OSMO/OD/NIAID/NIH

31 Center Drive, Room 3B62B, MSC 2135
Bethesda, MD 20892-2135
Office: 301-402-0095
Mobile: 301-758-3559
Web: BCBB Home 
Pagehttp://www.niaid.nih.gov/about/organization/odoffices/omo/ocicb/Pages/bcbb.aspx#niaid_inlineNav_Anchor
Twitter: @niaidbioithttps://twitter.com/niaidbioit

Disclaimer: The information in this e-mail and any of its attachments is 
confidential and may contain sensitive information. It should not be used by 
anyone who is not the original intended recipient. If you have received this 
e-mail in error please inform the sender and delete it from your mailbox or any 
other storage devices. National Institute of Allergy and Infectious Diseases 
shall not accept liability for any statements made that are sender's own and 
not expressly made on behalf of the NIAID by one of its representatives.

From: Sean Law magic...@hotmail.commailto:magic...@hotmail.com
Date: Wednesday, June 4, 2014 4:17 PM
To: Sampson, Jared jared.samp...@nyumc.orgmailto:jared.samp...@nyumc.org
Cc: 
pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net 
pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

Jared,

For now, we are using different colors to indicate the SS assignments but it's 
not pretty. We would prefer to show the SS for both sheets and helices.

Can you elaborate on what you mean by radially symmetric. Are there other 
cartoon modes where I would be able to get both helices and sheets after 
altering the residue's SS assignment by hand? I see what you mean by not being 
able to define the flat plane though.

Best,

Sean


From: jared.samp...@nyumc.orgmailto:jared.samp...@nyumc.org
To: magic...@hotmail.commailto:magic...@hotmail.com
CC: pymol-users@lists.sourceforge.netmailto:pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Visualize Sheets from C-alpha Only Structure
Date: Wed, 4 Jun 2014 20:03:54 +

Hi Sean -

I can confirm this behavior, but I’m not sure it’s unintentional on PyMOL’s 
part.  Rather, I think it may have something to do with two facts: 1) unlike 
loops, sheets represented in automatic mode are not radially symmetric; and 2) 
unlike helices, the orientation of the sheet at a particular CA atom cannot be 
determined by its immediate neighbors.  I haven’t had a chance to look at the 
relevant source, so I can’t confirm this at the moment, but it seems likely to 
me that PyMOL uses the other (non-CA) backbone atoms to define the “flat” plane 
of a sheet, and without this information, instead of guessing at its 
orientation, it omits the sheet entirely.  (This also appears to be the case 
for other non-radially symmetric modes, including dumbbell, rectangle, and 
oval.)

Could you get by using different colors to indicate your SS assignments in 
another cartoon mode?

Cheers,
Jared

Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/






On Jun 4, 2014, at 1:50 PM, Sean Law 
magic...@hotmail.commailto:magic...@hotmail.com wrote:

Hi PyMOLers,

I have a c-alpha only model and I would like to visualize both helices and 
sheets based on my own custom SS assignments (via alter). Altering a 
residue's SS assignment to helix or loop (ss=H or ss=L) is fine and can be 
visualized. However, altering a residue's SS assignment to sheet (ss=S) 
causes that residue to disappear. Again, this is c-alpha only and I am 
visualizing in cartoon automatic mode.

Any suggestions for visualizing the sheets in this case would be greatly 
appreciated.

Best,

Sean
--
Learn Graph Databases - Download FREE O'Reilly Book
Graph Databases is the definitive new guide to graph databases and their
applications. Written by three acclaimed leaders in the field,
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/NeoTech___
PyMOL-users mailing list 
(PyMOL-users@lists.sourceforge.netmailto:PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: 
http://www.mail-archive.com/pymol-users@lists.sourceforge.nethttp://www.mail-archive.com/pymol-users%40lists.sourceforge.net


This email message, including any attachments, is for the sole use of the 
intended recipient(s) and may contain information that is proprietary, 
confidential, and exempt from disclosure under applicable law. Any unauthorized 
review, use, disclosure, or distribution